3-phenylpropyl 4-[(4-hexoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-hexoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(4-hexoxyanilino)-4-oxo-butanoate CAS Name: 4-(4-hexoxyanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-hexoxyanilino)-4-oxobutanoate Traditional Name: 4-(4-hexoxyanilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H33NO4/c1-2-3-4-8-19-29-23-15-13-22(14-16-23)26-24(27)17-18-25(28)30-20-9-12-21-10-6-5-7-11-21/h5-7,10-11,13-16H,2-4,8-9,12,17-20H2,1H3,(H,26,27)