2-[[3-[(3-methylphenyl)carbamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[3-[(3-methylphenyl)carbamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[3-(m-tolylcarbamoyl)-4-(1-piperidyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[3-[(3-methylanilino)-oxomethyl]-4-(1-piperidinyl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[3-[(3-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[3-(m-tolylcarbamoyl)-4-piperidino-phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)N4CCCCC4

InChI

InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)