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

Systemtic Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[(1R,2R)-2-[[(1-cyanocyclopropyl)amino]-oxomethyl]cyclohexyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2(CC2)C#N)C(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC2(CC2)C#N)C(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C22H25N3O4/c23-13-22(9-10-22)24-19(26)16-7-3-4-8-17(16)20(27)25-12-15-6-2-1-5-14(15)11-18(25)21(28)29/h1-2,5-6,16-18H,3-4,7-12H2,(H,24,26)(H,28,29)/t16-,17-,18?/m1/s1