3-phenylpropyl 4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(3-chloro-4-methoxy-anilino)-4-oxo-butanoate CAS Name: 4-(3-chloro-4-methoxyanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3-chloro-4-methoxyanilino)-4-oxobutanoate Traditional Name: 4-(3-chloro-4-methoxy-anilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C20H22ClNO4/c1-25-18-10-9-16(14-17(18)21)22-19(23)11-12-20(24)26-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,22,23)