4-[[[(1R,6S)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[(1R,6S)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[(1R,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[(1R,6S)-6-carboxylato-1-cyclohex-3-enyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[(1R,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(1R,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]methyl]benzoate Formula: C16H15NO5-2 MolecularWeight: 301.294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NCC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H17NO5/c18-14(12-3-1-2-4-13(12)16(21)22)17-9-10-5-7-11(8-6-10)15(19)20/h1-2,5-8,12-13H,3-4,9H2,(H,17,18)(H,19,20)(H,21,22)/p-2/t12-,13+/m1/s1