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

Systemtic Name: tert-butyl 7-[[1-(3-methanoylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[[1-(3-formyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[1-(3-formyl-4-pyridinyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[1-(3-formylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[1-(3-formyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-26(2,3)33-25(31)29-13-9-20-4-5-23(14-21(20)16-29)32-18-19-7-11-28(12-8-19)24-6-10-27-15-22(24)17-30/h4-6,10,14-15,17,19H,7-9,11-13,16,18H2,1-3H3