3-[[(1S,2S)-2-carboxylatocyclohexyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: 3-[[(1S,2S)-2-carboxylatocyclohexyl]carbonylamino]-4-methyl-benzoate Openeye Name: 3-[[(1S,2S)-2-carboxylatocyclohexanecarbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[(1S,2S)-2-carboxylatocyclohexyl]-oxomethyl]amino]-4-methylbenzoate IUPAC Name: 3-[[(1S,2S)-2-carboxylatocyclohexanecarbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[(1S,2S)-2-carboxylatocyclohexanecarbonyl]amino]-4-methyl-benzoate Formula: C16H17NO5-2 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-9-6-7-10(15(19)20)8-13(9)17-14(18)11-4-2-3-5-12(11)16(21)22/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2/t11-,12-/m0/s1