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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H17NO5/c1-9-6-7-10(15(19)20)8-13(9)17-14(18)11-4-2-3-5-12(11)16(21)22/h2-3,6-8,11-12H,4-5H2,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2/t11-,12-/m1/s1