3-phenylpropyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[5-(butanoylamino)-2-chloro-anilino]-4-oxo-butanoate CAS Name: 4-[2-chloro-5-(1-oxobutylamino)anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[5-(butanoylamino)-2-chloroanilino]-4-oxobutanoate Traditional Name: 4-(5-butyramido-2-chloro-anilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H27ClN2O4/c1-2-7-21(27)25-18-11-12-19(24)20(16-18)26-22(28)13-14-23(29)30-15-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-12,16H,2,6-7,10,13-15H2,1H3,(H,25,27)(H,26,28)