3-phenylpropyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-[cyclohexyl(methyl)carbamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-[cyclohexyl(methyl)carbamoyl]anilino]-4-oxobutanoate Traditional Name: 4-[2-[cyclohexyl(methyl)carbamoyl]anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O4/c1-29(22-14-6-3-7-15-22)27(32)23-16-8-9-17-24(23)28-25(30)18-19-26(31)33-20-10-13-21-11-4-2-5-12-21/h2,4-5,8-9,11-12,16-17,22H,3,6-7,10,13-15,18-20H2,1H3,(H,28,30)