4-[[(1-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(1-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoic acid Openeye Name: 4-[[(1-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoic acid CAS Name: 4-[[(1-tert-butylcyclohexyl)-[(3,5-dimethylanilino)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoic acid Traditional Name: 4-[[(1-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]benzoic acid Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)O)C3(CCCCC3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)O)C3(CCCCC3)C(C)(C)C)C

InChI

InChI=1S/C27H36N2O3/c1-19-15-20(2)17-23(16-19)28-25(32)29(18-21-9-11-22(12-10-21)24(30)31)27(26(3,4)5)13-7-6-8-14-27/h9-12,15-17H,6-8,13-14,18H2,1-5H3,(H,28,32)(H,30,31)