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

Systemtic Name: 7-[2-(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[2-[4-ethoxycarbonyl-1-(4-pyridyl)-4-piperidyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[2-(4-ethoxycarbonyl-1-pyridin-4-yl-4-piperidinyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[2-(4-ethoxycarbonyl-1-pyridin-4-ylpiperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[2-[4-carbethoxy-1-(4-pyridyl)-4-piperidyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)CCOC3=CC4=C(CCN(C4)C(=O)O)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)CCOC3=CC4=C(CCN(C4)C(=O)O)C=C3

InChI

InChI=1S/C25H31N3O5/c1-2-32-23(29)25(8-14-27(15-9-25)21-5-11-26-12-6-21)10-16-33-22-4-3-19-7-13-28(24(30)31)18-20(19)17-22/h3-6,11-12,17H,2,7-10,13-16,18H2,1H3,(H,30,31)