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

Systemtic Name: tert-butyl 7-[2-ethoxy-1-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyphenyl]-2-oxidanylidene-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[1-[4-[(3S)-1-tert-butoxycarbonylpyrrolidin-3-yl]oxyphenyl]-2-ethoxy-2-oxo-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[2-ethoxy-1-[4-[[(3S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]oxy]phenyl]-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[2-ethoxy-1-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyphenyl]-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[1-[4-[(3S)-1-tert-butoxycarbonylpyrrolidin-3-yl]oxyphenyl]-2-ethoxy-2-keto-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C33H44N2O8 MolecularWeight: 596.71106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(C2)C(=O)OC(C)(C)C)OC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)O[C@H]2CCN(C2)C(=O)OC(C)(C)C)OC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

InChI

InChI=1S/C33H44N2O8/c1-8-39-29(36)28(41-26-14-9-22-15-17-34(20-24(22)19-26)30(37)42-32(2,3)4)23-10-12-25(13-11-23)40-27-16-18-35(21-27)31(38)43-33(5,6)7/h9-14,19,27-28H,8,15-18,20-21H2,1-7H3/t27-,28?/m0/s1