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

Systemtic Name: (phenylmethyl) 7-[(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 7-[[4-ethoxycarbonyl-1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[(4-ethoxycarbonyl-1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[(4-ethoxycarbonyl-1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[4-carbethoxy-1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C31H35N3O5 MolecularWeight: 529.6267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

InChI

InChI=1S/C31H35N3O5/c1-2-37-29(35)31(13-18-33(19-14-31)27-10-15-32-16-11-27)23-39-28-9-8-25-12-17-34(21-26(25)20-28)30(36)38-22-24-6-4-3-5-7-24/h3-11,15-16,20H,2,12-14,17-19,21-23H2,1H3