tert-butyl 7-[1-[4-(1-ethanoylpiperidin-4-yl)oxyphenyl]-2-ethoxy-2-oxidanylidene-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[1-[4-(1-ethanoylpiperidin-4-yl)oxyphenyl]-2-ethoxy-2-oxidanylidene-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[1-[4-[(1-acetyl-4-piperidyl)oxy]phenyl]-2-ethoxy-2-oxo-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[1-[4-[(1-acetyl-4-piperidinyl)oxy]phenyl]-2-ethoxy-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[1-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-ethoxy-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[1-[4-[(1-acetyl-4-piperidyl)oxy]phenyl]-2-ethoxy-2-keto-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C31H40N2O7 MolecularWeight: 552.6585

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C)OC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C)OC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

InChI

InChI=1S/C31H40N2O7/c1-6-37-29(35)28(23-8-10-25(11-9-23)38-26-14-17-32(18-15-26)21(2)34)39-27-12-7-22-13-16-33(20-24(22)19-27)30(36)40-31(3,4)5/h7-12,19,26,28H,6,13-18,20H2,1-5H3