7-[2-(4-cyanopiperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[2-(4-cyanopiperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[2-(4-cyano-4-piperidyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[2-(4-cyano-4-piperidinyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[2-(4-cyanopiperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[2-(4-cyano-4-piperidyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OCCC3(CCNCC3)C#N)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OCCC3(CCNCC3)C#N)C(=O)O

InChI

InChI=1S/C18H23N3O3/c19-13-18(4-7-20-8-5-18)6-10-24-16-2-1-14-3-9-21(17(22)23)12-15(14)11-16/h1-2,11,20H,3-10,12H2,(H,22,23)