3-(2-cyanopyrrolidin-1-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 3-(2-cyanopyrrolidin-1-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 3-(2-cyanopyrrolidine-1-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 3-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 3-(2-cyanopyrrolidine-1-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 3-(2-cyanopyrrolidine-1-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(CC2=C1)C(=O)N3CCCC3C#N)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2CN(C(CC2=C1)C(=O)N3CCCC3C#N)C(=O)O)OC

InChI

InChI=1S/C18H21N3O5/c1-25-15-7-11-6-14(17(22)20-5-3-4-13(20)9-19)21(18(23)24)10-12(11)8-16(15)26-2/h7-8,13-14H,3-6,10H2,1-2H3,(H,23,24)