3-phenylpropyl 5-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-5-oxopentanoate Traditional Name: 5-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H33ClN2O4 MolecularWeight: 485.01492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClN2O4/c28-24-17-16-22(19-23(24)27(33)30-21-12-5-2-6-13-21)29-25(31)14-7-15-26(32)34-18-8-11-20-9-3-1-4-10-20/h1,3-4,9-10,16-17,19,21H,2,5-8,11-15,18H2,(H,29,31)(H,30,33)