(1S,6R)-3,4-dimethyl-6-(phenacylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-3,4-dimethyl-6-(phenacylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-3,4-dimethyl-6-(phenacylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-3,4-dimethyl-6-[oxo-(phenacylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-3,4-dimethyl-6-(phenacylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-3,4-dimethyl-6-(phenacylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C18H20NO4- MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC(=O)C2=CC=CC=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NCC(=O)C2=CC=CC=C2)C(=O)[O-])C

InChI

InChI=1S/C18H21NO4/c1-11-8-14(15(18(22)23)9-12(11)2)17(21)19-10-16(20)13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3,(H,19,21)(H,22,23)/p-1/t14-,15+/m1/s1