2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-methoxy-3-phenyl-, (E)-2-butenedioate (1:1)

HCID 6445844

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Basic information

CAS: 42773-67-1
Standard SMILES: COC1(c2ccccc2)C(=O)N(CCCN(C)C)c2ccccc21.O=C(O)/C=C/C(=O)O
InChIKey: AJKBFQIGGLGNGL-WLHGVMLRSA-N
Molecular formula: C24H28N2O6
Average molar mass: 440.5 g/mol
Monoisotopic mass: 440.19473662

Names & identifiers

Preferred name: 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-methoxy-3-phenyl-, (E)-2-butenedioate (1:1)
IUPAC: (E)-but-2-enedioic acid;1-[3-(dimethylamino)propyl]-3-methoxy-3-phenylindol-2-one

Names & synonyms

2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-methoxy-3-phenyl-, (E)-2-butenedioate (1:1)42773-67-1RefChem:10652461,3-Dihydro-1-(3-(dimethylamino)propyl)-3-methoxy-3-phenyl-2H-indol-2-one fumarate

Database identifiers

CAS: 42773-67-1
PubChem CID: 6445844

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 552

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