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

Systemtic Name: 4-[[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxo-cyclohexen-1-yl]amino]methyl]benzoic acid CAS Name: 4-[[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxo-1-cyclohexenyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(4S,5R)-4-methoxycarbonyl-5-methyl-3-oxocyclohexen-1-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[(4S,5R)-4-carbomethoxy-3-keto-5-methyl-cyclohexen-1-yl]amino]methyl]benzoic acid Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H19NO5/c1-10-7-13(8-14(19)15(10)17(22)23-2)18-9-11-3-5-12(6-4-11)16(20)21/h3-6,8,10,15,18H,7,9H2,1-2H3,(H,20,21)/t10-,15+/m1/s1