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

Systemtic Name: 7-[2-(4-cyano-1-pyridin-4-yl-piperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[2-[4-cyano-1-(4-pyridyl)-4-piperidyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[2-(4-cyano-1-pyridin-4-yl-4-piperidinyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[2-(4-cyano-1-pyridin-4-ylpiperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[2-[4-cyano-1-(4-pyridyl)-4-piperidyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OCCC3(CCN(CC3)C4=CC=NC=C4)C#N)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OCCC3(CCN(CC3)C4=CC=NC=C4)C#N)C(=O)O

InChI

InChI=1S/C23H26N4O3/c24-17-23(6-12-26(13-7-23)20-3-9-25-10-4-20)8-14-30-21-2-1-18-5-11-27(22(28)29)16-19(18)15-21/h1-4,9-10,15H,5-8,11-14,16H2,(H,28,29)