tert-butyl 7-[2-ethoxy-2-oxidanylidene-1-[4-(phenylcarbonyloxy)phenyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[2-ethoxy-2-oxidanylidene-1-[4-(phenylcarbonyloxy)phenyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[1-(4-benzoyloxyphenyl)-2-ethoxy-2-oxo-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[1-(4-benzoyloxyphenyl)-2-ethoxy-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[1-(4-benzoyloxyphenyl)-2-ethoxy-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[1-(4-benzoyloxyphenyl)-2-ethoxy-2-keto-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C31H33NO7 MolecularWeight: 531.59622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO7/c1-5-36-29(34)27(22-12-14-25(15-13-22)38-28(33)23-9-7-6-8-10-23)37-26-16-11-21-17-18-32(20-24(21)19-26)30(35)39-31(2,3)4/h6-16,19,27H,5,17-18,20H2,1-4H3