Emd 16795

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Basic information

CAS: 13619-98-2
Standard SMILES: COc1ccc2c(c1)OCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1
InChIKey: UYFNTTSLCDBZMY-UHFFFAOYSA-N
Molecular formula: C28H29NO3
Average molar mass: 427.5 g/mol
Monoisotopic mass: 427.21474379

Names & identifiers

Preferred name: Emd 16795
IUPAC: 1-[2-[4-(7-methoxy-3-phenyl-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine

Names & synonyms

Emd 16795EMD 16-795QOL6L2C7ZA13619-98-23-Phenyl-4-(p-(beta-pyrrolidinoethoxy)phenyl)-7-methoxychromeneDTXSID10159730Pyrrolidine, 1-(2-(4-(7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-EMD-16-795RefChem:920913DTXCID10822211-(2-(4-(7-Methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)pyrrolidine1-[2-[4-(7-methoxy-3-phenyl-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine

Show more names

1-(2-(4-(7-METHOXY-3-PHENYL-2H-CHROMEN-4-YL)PHENOXY)ETHYL)PYRROLIDINE1-{2-[4-(7-Methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]ethyl}pyrrolidineUNII-QOL6L2C7ZACHEMBL27513Pyrrolidine, 1-(2-(p-(7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-7-methoxy-4(p-(2-pyrrolidinoethoxy)phenyl)isoflavanol3-PHENYL-4-(P-(.BETA.-PYRROLIDINOETHOXY)PHENYL)-7-METHOXYCHROMENE

Database identifiers

CAS: 13619-98-2
PubChem CID: 197919
DTXSID: DTXSID10159730
ChEMBL: CHEMBL27513
UNII: QOL6L2C7ZA
Nikkaji: J126.009J

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 30.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 614

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Compound notes

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