4-[[6-(cyclohexylmethyl)pyridin-2-yl]carbonylamino]-3-(phenylmethyl)benzoic acid

Systemtic Name: 4-[[6-(cyclohexylmethyl)pyridin-2-yl]carbonylamino]-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-4-[[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[6-(cyclohexylmethyl)-2-pyridinyl]-oxomethyl]amino]-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-4-[[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino]benzoic acid Traditional Name: 3-benzyl-4-[[6-(cyclohexylmethyl)picolinoyl]amino]benzoic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=CC=CC(=N2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC2=CC=CC(=N2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC=CC=C4

InChI

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