4-[2-[[1-(4-methylcyclohexyl)-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[1-(4-methylcyclohexyl)-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[1-(4-methylcyclohexyl)-2-oxo-pyridine-3-carbonyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[[1-(4-methylcyclohexyl)-2-oxo-3-pyridinyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[1-(4-methylcyclohexyl)-2-oxopyridine-3-carbonyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[2-keto-1-(4-methylcyclohexyl)nicotinoyl]amino]ethyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2C=CC=C(C2=O)C(=O)NCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCC(CC1)N2C=CC=C(C2=O)C(=O)NCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H26N2O4/c1-15-4-10-18(11-5-15)24-14-2-3-19(21(24)26)20(25)23-13-12-16-6-8-17(9-7-16)22(27)28/h2-3,6-9,14-15,18H,4-5,10-13H2,1H3,(H,23,25)(H,27,28)