methyl 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]carbonyl-3,4-dihydro-1H-isoquinoline-8-carboxylate

Systemtic Name: methyl 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]carbonyl-3,4-dihydro-1H-isoquinoline-8-carboxylate Openeye Name: methyl 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate CAS Name: 2-[[(1R,2R)-2-[[(1-cyanocyclopropyl)amino]-oxomethyl]cyclohexyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Traditional Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CN(CCC2=CC=C1)C(=O)C3CCCCC3C(=O)NC4(CC4)C#N

Isomeric SMILES

COC(=O)C1=C2CN(CCC2=CC=C1)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N

InChI

InChI=1S/C23H27N3O4/c1-30-22(29)18-8-4-5-15-9-12-26(13-19(15)18)21(28)17-7-3-2-6-16(17)20(27)25-23(14-24)10-11-23/h4-5,8,16-17H,2-3,6-7,9-13H2,1H3,(H,25,27)/t16-,17-/m1/s1