(1R,6S)-6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C19H22NO3- MolecularWeight: 312.38288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)N2CCC3=CC=CC=C3C2)C(=O)[O-])C

InChI

InChI=1S/C19H23NO3/c1-12-9-16(17(19(22)23)10-13(12)2)18(21)20-8-7-14-5-3-4-6-15(14)11-20/h3-6,16-17H,7-11H2,1-2H3,(H,22,23)/p-1/t16-,17+/m0/s1