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

Systemtic Name: (phenylmethyl) 7-[2-(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 7-[2-[4-ethoxycarbonyl-1-(4-pyridyl)-4-piperidyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[2-(4-ethoxycarbonyl-1-pyridin-4-yl-4-piperidinyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[2-(4-ethoxycarbonyl-1-pyridin-4-ylpiperidin-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[2-[4-carbethoxy-1-(4-pyridyl)-4-piperidyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C32H37N3O5 MolecularWeight: 543.65328

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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)OCC5=CC=CC=C5)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)CCOC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

InChI

InChI=1S/C32H37N3O5/c1-2-38-30(36)32(13-19-34(20-14-32)28-10-16-33-17-11-28)15-21-39-29-9-8-26-12-18-35(23-27(26)22-29)31(37)40-24-25-6-4-3-5-7-25/h3-11,16-17,22H,2,12-15,18-21,23-24H2,1H3