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

Systemtic Name: tert-butyl 7-[2-ethoxy-2-oxidanylidene-1-[4-[(3S)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]oxyphenyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[1-[4-[(3S)-1-allyloxycarbonylpyrrolidin-3-yl]oxyphenyl]-2-ethoxy-2-oxo-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[2-ethoxy-2-oxo-1-[4-[[(3S)-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]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-[(3S)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]oxyphenyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[1-[4-[(3S)-1-allyloxycarbonylpyrrolidin-3-yl]oxyphenyl]-2-ethoxy-2-keto-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C32H40N2O8 MolecularWeight: 580.6686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(C2)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)O[C@H]2CCN(C2)C(=O)OCC=C)OC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

InChI

InChI=1S/C32H40N2O8/c1-6-18-39-30(36)34-17-15-27(21-34)40-25-11-9-23(10-12-25)28(29(35)38-7-2)41-26-13-8-22-14-16-33(20-24(22)19-26)31(37)42-32(3,4)5/h6,8-13,19,27-28H,1,7,14-18,20-21H2,2-5H3/t27-,28?/m0/s1