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

Systemtic Name: tert-butyl 7-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxidanylidene-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxo-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[2-ethoxy-1-(4-hydroxyphenyl)-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[2-ethoxy-1-(4-hydroxyphenyl)-2-keto-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)O)OC2=CC3=C(CCN(C3)C(=O)OC(C)(C)C)C=C2

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)O)OC2=CC3=C(CCN(C3)C(=O)OC(C)(C)C)C=C2

InChI

InChI=1S/C24H29NO6/c1-5-29-22(27)21(17-6-9-19(26)10-7-17)30-20-11-8-16-12-13-25(15-18(16)14-20)23(28)31-24(2,3)4/h6-11,14,21,26H,5,12-13,15H2,1-4H3