(1S,6S)-6-[(4-methyl-2-oxidanyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[(4-methyl-2-oxidanyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[(2-hydroxy-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[(2-hydroxy-4-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(2-hydroxy-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4/c1-9-6-7-12(13(17)8-9)16-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11,17H,4-5H2,1H3,(H,16,18)(H,19,20)/t10-,11-/m0/s1