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

Systemtic Name: tert-butyl 7-[2-ethoxy-2-oxidanylidene-1-[4-(1-prop-2-enoxycarbonylpiperidin-4-yl)oxyphenyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[1-[4-[(1-allyloxycarbonyl-4-piperidyl)oxy]phenyl]-2-ethoxy-2-oxo-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[2-ethoxy-2-oxo-1-[4-[[1-[oxo(prop-2-enoxy)methyl]-4-piperidinyl]oxy]phenyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[2-ethoxy-2-oxo-1-[4-(1-prop-2-enoxycarbonylpiperidin-4-yl)oxyphenyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[1-[4-[(1-allyloxycarbonyl-4-piperidyl)oxy]phenyl]-2-ethoxy-2-keto-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C33H42N2O8 MolecularWeight: 594.69518

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H42N2O8/c1-6-20-40-31(37)34-18-15-27(16-19-34)41-26-11-9-24(10-12-26)29(30(36)39-7-2)42-28-13-8-23-14-17-35(22-25(23)21-28)32(38)43-33(3,4)5/h6,8-13,21,27,29H,1,7,14-20,22H2,2-5H3