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

Systemtic Name: 3-phenylpropyl 4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H31ClN2O4 MolecularWeight: 470.98834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C26H31ClN2O4/c27-23-14-13-21(18-22(23)26(32)29-20-11-5-2-6-12-20)28-24(30)15-16-25(31)33-17-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,13-14,18,20H,2,5-7,10-12,15-17H2,(H,28,30)(H,29,32)