4-cyano-1-ethoxy-1-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydroisoquinoline-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=CC=CC=C2C(CN1C(=O)O)C#N)C3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC1(C2=CC=CC=C2C(CN1C(=O)O)C#N)C3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C23H26N4O3/c1-2-30-23(18-9-13-26(14-10-18)19-7-11-25-12-8-19)21-6-4-3-5-20(21)17(15-24)16-27(23)22(28)29/h3-8,11-12,17-18H,2,9-10,13-14,16H2,1H3,(H,28,29)