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

Systemtic Name: ethyl 6,7-dimethoxy-1-[3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyphenyl]carbonyl-isoquinoline-4-carboxylate Openeye Name: ethyl 1-[3-(2-tert-butoxy-1,1-dimethyl-2-oxo-ethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[[3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyphenyl]-oxomethyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-[3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxybenzoyl]isoquinoline-4-carboxylate Traditional Name: 1-[3-(2-tert-butoxy-2-keto-1,1-dimethyl-ethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C29H33NO8 MolecularWeight: 523.57422

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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)OC(C)(C)C(=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)OC(C)(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H33NO8/c1-9-36-26(32)21-16-30-24(20-15-23(35-8)22(34-7)14-19(20)21)25(31)17-11-10-12-18(13-17)37-29(5,6)27(33)38-28(2,3)4/h10-16H,9H2,1-8H3