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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3CCCCC3C(=O)NC4(CC4)C#N

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N

InChI

InChI=1S/C23H27N3O4/c1-30-22(29)19-12-15-6-2-3-7-16(15)13-26(19)21(28)18-9-5-4-8-17(18)20(27)25-23(14-24)10-11-23/h2-3,6-7,17-19H,4-5,8-13H2,1H3,(H,25,27)/t17-,18-,19?/m1/s1