tert-butyl 6-[(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-[(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[[4-ethoxycarbonyl-1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[(4-ethoxycarbonyl-1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(4-ethoxycarbonyl-1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[[4-carbethoxy-1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H37N3O5 MolecularWeight: 495.61048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(CN(CC4)C(=O)OC(C)(C)C)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(CN(CC4)C(=O)OC(C)(C)C)C=C3

InChI

InChI=1S/C28H37N3O5/c1-5-34-25(32)28(11-16-30(17-12-28)23-8-13-29-14-9-23)20-35-24-7-6-22-19-31(15-10-21(22)18-24)26(33)36-27(2,3)4/h6-9,13-14,18H,5,10-12,15-17,19-20H2,1-4H3