4-[[5-(cyclohexylmethyl)pyridin-3-yl]carbonylamino]-3-(phenylmethyl)benzoic acid

Systemtic Name: 4-[[5-(cyclohexylmethyl)pyridin-3-yl]carbonylamino]-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-4-[[5-(cyclohexylmethyl)pyridine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[5-(cyclohexylmethyl)-3-pyridinyl]-oxomethyl]amino]-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-4-[[5-(cyclohexylmethyl)pyridine-3-carbonyl]amino]benzoic acid Traditional Name: 3-benzyl-4-[[5-(cyclohexylmethyl)nicotinoyl]amino]benzoic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c30-26(24-15-21(17-28-18-24)13-19-7-3-1-4-8-19)29-25-12-11-22(27(31)32)16-23(25)14-20-9-5-2-6-10-20/h2,5-6,9-12,15-19H,1,3-4,7-8,13-14H2,(H,29,30)(H,31,32)