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

Systemtic Name: tert-butyl 7-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[(1-benzyloxycarbonyl-4-piperidyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[(1-phenylmethoxycarbonyl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[(1-carbobenzoxy-4-piperidyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H36N2O5/c1-28(2,3)35-27(32)30-16-13-23-9-10-25(17-24(23)18-30)33-19-22-11-14-29(15-12-22)26(31)34-20-21-7-5-4-6-8-21/h4-10,17,22H,11-16,18-20H2,1-3H3