(1S,2R)-2-[(3-ethanoylphenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(3-ethanoylphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(3-acetylphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[(3-acetylanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(3-acetylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(3-acetylphenyl)carbamoyl]cyclohexanecarboxylate Formula: C16H18NO4- MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-10(18)11-5-4-6-12(9-11)17-15(19)13-7-2-3-8-14(13)16(20)21/h4-6,9,13-14H,2-3,7-8H2,1H3,(H,17,19)(H,20,21)/p-1/t13-,14+/m1/s1