propan-2-yl (1S,6R)-6-[[(1R)-1-cyano-1H-isoquinolin-2-yl]carbonyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: propan-2-yl (1S,6R)-6-[[(1R)-1-cyano-1H-isoquinolin-2-yl]carbonyl]cyclohex-3-ene-1-carboxylate Openeye Name: isopropyl (1S,6R)-6-[(1R)-1-cyano-1H-isoquinoline-2-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[(1R)-1-cyano-1H-isoquinolin-2-yl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (1S,6R)-6-[(1R)-1-cyano-1H-isoquinoline-2-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(1R)-1-cyano-1H-isoquinoline-2-carbonyl]cyclohex-3-ene-1-carboxylic acid isopropyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC=CCC1C(=O)N2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

CC(C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)N2C=CC3=CC=CC=C3[C@@H]2C#N

InChI

InChI=1S/C21H22N2O3/c1-14(2)26-21(25)18-10-6-5-9-17(18)20(24)23-12-11-15-7-3-4-8-16(15)19(23)13-22/h3-8,11-12,14,17-19H,9-10H2,1-2H3/t17-,18+,19+/m1/s1