4-[[6-(cyclohexylmethyl)pyridin-3-yl]carbonylamino]-3-(phenylmethyl)benzoic acid

Systemtic Name: 4-[[6-(cyclohexylmethyl)pyridin-3-yl]carbonylamino]-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-4-[[6-(cyclohexylmethyl)pyridine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[6-(cyclohexylmethyl)-3-pyridinyl]-oxomethyl]amino]-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-4-[[6-(cyclohexylmethyl)pyridine-3-carbonyl]amino]benzoic acid Traditional Name: 3-benzyl-4-[[6-(cyclohexylmethyl)nicotinoyl]amino]benzoic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=NC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC2=NC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c30-26(22-11-13-24(28-18-22)16-20-9-5-2-6-10-20)29-25-14-12-21(27(31)32)17-23(25)15-19-7-3-1-4-8-19/h1,3-4,7-8,11-14,17-18,20H,2,5-6,9-10,15-16H2,(H,29,30)(H,31,32)