3-[4-(2-Anilino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid

HCID 890893

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Basic information

CAS: 486993-09-3
Standard SMILES: COc1cc(C=CC(=O)O)ccc1OCC(=O)Nc1ccccc1
InChIKey: XHVKTDRQOZEKGX-UHFFFAOYSA-N
Molecular formula: C18H17NO5
Average molar mass: 327.3 g/mol
Monoisotopic mass: 327.11067264

Names & identifiers

Preferred name: 3-[4-(2-Anilino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
IUPAC: 3-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid

Names & synonyms

DTXSID5011596653-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid3-[3-Methoxy-4-[2-oxo-2-(phenylamino)ethoxy]phenyl]-2-propenoic acid486993-09-3

Database identifiers

CAS: 486993-09-3
PubChem CID: 890893
DTXSID: DTXSID501159665

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 445

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