(1S,6S)-4-chloranyl-6-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-4-chloranyl-6-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-(benzylcarbamoyl)-4-chloro-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-chloro-6-[oxo-[(phenylmethyl)amino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-(benzylcarbamoyl)-4-chlorocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(benzylcarbamoyl)-4-chloro-cyclohex-3-ene-1-carboxylate Formula: C15H15ClNO3- MolecularWeight: 292.7375

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C(=O)[O-])C(=O)NCC2=CC=CC=C2)Cl

Isomeric SMILES

C1C=C(C[C@@H]([C@H]1C(=O)[O-])C(=O)NCC2=CC=CC=C2)Cl

InChI

InChI=1S/C15H16ClNO3/c16-11-6-7-12(15(19)20)13(8-11)14(18)17-9-10-4-2-1-3-5-10/h1-6,12-13H,7-9H2,(H,17,18)(H,19,20)/p-1/t12-,13-/m0/s1