2-[[(1S)-1-(2,3-dimethylphenyl)-3-methoxy-3-oxidanylidene-propyl]carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[[(1S)-1-(2,3-dimethylphenyl)-3-methoxy-3-oxidanylidene-propyl]carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[(1S)-1-(2,3-dimethylphenyl)-3-methoxy-3-oxo-propyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[[(1S)-1-(2,3-dimethylphenyl)-3-methoxy-3-oxopropyl]amino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[[(1S)-1-(2,3-dimethylphenyl)-3-methoxy-3-oxopropyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[(1S)-1-(2,3-dimethylphenyl)-3-keto-3-methoxy-propyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(CC(=O)OC)NC(=O)C2=C(CCCC2)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)[C@H](CC(=O)OC)NC(=O)C2=C(CCCC2)C(=O)O)C

InChI

InChI=1S/C20H25NO5/c1-12-7-6-10-14(13(12)2)17(11-18(22)26-3)21-19(23)15-8-4-5-9-16(15)20(24)25/h6-7,10,17H,4-5,8-9,11H2,1-3H3,(H,21,23)(H,24,25)/t17-/m0/s1