4-[[2-(4-chlorophenyl)ethylcarbamoyl-(4-cyclohexylphenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[2-(4-chlorophenyl)ethylcarbamoyl-(4-cyclohexylphenyl)amino]methyl]benzoic acid Openeye Name: 4-[[N-[2-(4-chlorophenyl)ethylcarbamoyl]-4-cyclohexyl-anilino]methyl]benzoic acid CAS Name: 4-[(N-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-4-cyclohexylanilino)methyl]benzoic acid IUPAC Name: 4-[[N-[2-(4-chlorophenyl)ethylcarbamoyl]-4-cyclohexylanilino]methyl]benzoic acid Traditional Name: 4-[[N-[2-(4-chlorophenyl)ethylcarbamoyl]-4-cyclohexyl-anilino]methyl]benzoic acid Formula: C29H31ClN2O3 MolecularWeight: 491.02104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)O)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)O)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H31ClN2O3/c30-26-14-8-21(9-15-26)18-19-31-29(35)32(20-22-6-10-25(11-7-22)28(33)34)27-16-12-24(13-17-27)23-4-2-1-3-5-23/h6-17,23H,1-5,18-20H2,(H,31,35)(H,33,34)