3-[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-yl]amino]benzoic acid

Systemtic Name: 3-[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-yl]amino]benzoic acid Openeye Name: 3-[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxo-cyclohexen-1-yl]amino]benzoic acid CAS Name: 3-[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxo-1-cyclohexenyl]amino]benzoic acid IUPAC Name: 3-[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxocyclohexen-1-yl]amino]benzoic acid Traditional Name: 3-[[(4S,5R)-4-carbomethoxy-3-keto-5-methyl-cyclohexen-1-yl]amino]benzoic acid Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H17NO5/c1-9-6-12(8-13(18)14(9)16(21)22-2)17-11-5-3-4-10(7-11)15(19)20/h3-5,7-9,14,17H,6H2,1-2H3,(H,19,20)/t9-,14+/m1/s1