3-(2-cyanopyrrolidin-1-yl)carbonyl-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 3-(2-cyanopyrrolidin-1-yl)carbonyl-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 3-(2-cyanopyrrolidine-1-carbonyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 3-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 3-(2-cyanopyrrolidine-1-carbonyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 3-(2-cyanopyrrolidine-1-carbonyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(N(C2)C(=O)O)C(=O)N3CCCC3C#N)C=C1

Isomeric SMILES

COC1=CC2=C(CC(N(C2)C(=O)O)C(=O)N3CCCC3C#N)C=C1

InChI

InChI=1S/C17H19N3O4/c1-24-14-5-4-11-8-15(20(17(22)23)10-12(11)7-14)16(21)19-6-2-3-13(19)9-18/h4-5,7,13,15H,2-3,6,8,10H2,1H3,(H,22,23)