2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[(1R,2R)-2-[[(1-cyanocyclopropyl)amino]-oxomethyl]cyclohexyl]-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(CC2=C1)C(=O)O)C(=O)C3CCCCC3C(=O)NC4(CC4)C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(C(CC2=C1)C(=O)O)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)OC

InChI

InChI=1S/C24H29N3O6/c1-32-19-10-14-9-18(23(30)31)27(12-15(14)11-20(19)33-2)22(29)17-6-4-3-5-16(17)21(28)26-24(13-25)7-8-24/h10-11,16-18H,3-9,12H2,1-2H3,(H,26,28)(H,30,31)/t16-,17-,18?/m1/s1