ethyl 6,7-dimethoxy-1-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]carbonyl-isoquinoline-4-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-1-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]carbonyl-isoquinoline-4-carboxylate Openeye Name: ethyl 1-[3-(2-tert-butoxy-2-oxo-ethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-oxomethyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzoyl]isoquinoline-4-carboxylate Traditional Name: 1-[3-(2-tert-butoxy-2-keto-ethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C27H29NO8 MolecularWeight: 495.52106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OCC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C27H29NO8/c1-7-34-26(31)20-14-28-24(19-13-22(33-6)21(32-5)12-18(19)20)25(30)16-9-8-10-17(11-16)35-15-23(29)36-27(2,3)4/h8-14H,7,15H2,1-6H3