6-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2-hydroxy-2-oxo-1-phenyl-ethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(2-hydroxy-2-oxo-1-phenylethyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2-hydroxy-2-oxo-1-phenylethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2-hydroxy-2-keto-1-phenyl-ethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC(C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC(C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

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