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

Systemtic Name: 1-ethoxy-4-ethoxycarbonyl-1-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydroisoquinoline-2-carboxylic acid Openeye Name: 1-ethoxy-4-ethoxycarbonyl-1-[1-(4-pyridyl)-4-piperidyl]-3,4-dihydroisoquinoline-2-carboxylic acid CAS Name: 1-ethoxy-4-ethoxycarbonyl-1-(1-pyridin-4-yl-4-piperidinyl)-3,4-dihydroisoquinoline-2-carboxylic acid IUPAC Name: 1-ethoxy-4-ethoxycarbonyl-1-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydroisoquinoline-2-carboxylic acid Traditional Name: 4-carbethoxy-1-ethoxy-1-[1-(4-pyridyl)-4-piperidyl]-3,4-dihydroisoquinoline-2-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C(C2=CC=CC=C12)(C3CCN(CC3)C4=CC=NC=C4)OCC)C(=O)O

Isomeric SMILES

CCOC(=O)C1CN(C(C2=CC=CC=C12)(C3CCN(CC3)C4=CC=NC=C4)OCC)C(=O)O

InChI

InChI=1S/C25H31N3O5/c1-3-32-23(29)21-17-28(24(30)31)25(33-4-2,22-8-6-5-7-20(21)22)18-11-15-27(16-12-18)19-9-13-26-14-10-19/h5-10,13-14,18,21H,3-4,11-12,15-17H2,1-2H3,(H,30,31)