tert-butyl 7-[[1-(3-methoxycarbonylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[[1-(3-methoxycarbonylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[[1-(3-methoxycarbonyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[1-(3-methoxycarbonyl-4-pyridinyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[1-(3-methoxycarbonylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[1-(3-carbomethoxy-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C4=C(C=NC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C4=C(C=NC=C4)C(=O)OC

InChI

InChI=1S/C27H35N3O5/c1-27(2,3)35-26(32)30-14-10-20-5-6-22(15-21(20)17-30)34-18-19-8-12-29(13-9-19)24-7-11-28-16-23(24)25(31)33-4/h5-7,11,15-16,19H,8-10,12-14,17-18H2,1-4H3