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

Systemtic Name: tert-butyl 7-[2-ethoxy-1-[4-(oxan-4-yloxy)phenyl]-2-oxidanylidene-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[2-ethoxy-2-oxo-1-(4-tetrahydropyran-4-yloxyphenyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[2-ethoxy-1-[4-(4-oxanyloxy)phenyl]-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[2-ethoxy-1-[4-(oxan-4-yloxy)phenyl]-2-oxoethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[2-ethoxy-2-keto-1-(4-tetrahydropyran-4-yloxyphenyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H37NO7 MolecularWeight: 511.60658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC2CCOCC2)OC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)OC2CCOCC2)OC3=CC4=C(CCN(C4)C(=O)OC(C)(C)C)C=C3

InChI

InChI=1S/C29H37NO7/c1-5-34-27(31)26(21-7-9-23(10-8-21)35-24-13-16-33-17-14-24)36-25-11-6-20-12-15-30(19-22(20)18-25)28(32)37-29(2,3)4/h6-11,18,24,26H,5,12-17,19H2,1-4H3