(1S,6S)-1-methyl-6-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-1-methyl-6-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-(benzylcarbamoyl)-1-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-1-methyl-6-[oxo-[(phenylmethyl)amino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-(benzylcarbamoyl)-1-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(benzylcarbamoyl)-1-methyl-cyclohex-3-ene-1-carboxylate Formula: C16H18NO3- MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CCC1C(=O)NCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@@]1(CC=CC[C@@H]1C(=O)NCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H19NO3/c1-16(15(19)20)10-6-5-9-13(16)14(18)17-11-12-7-3-2-4-8-12/h2-8,13H,9-11H2,1H3,(H,17,18)(H,19,20)/p-1/t13-,16+/m1/s1