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

Systemtic Name: ethyl 6,7-dimethoxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]phenyl]carbonyl-isoquinoline-4-carboxylate Openeye Name: ethyl 1-[3-(3-tert-butoxy-3-oxo-propyl)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]-oxomethyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoyl]isoquinoline-4-carboxylate Traditional Name: 1-[3-(3-tert-butoxy-3-keto-propyl)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C28H31NO7 MolecularWeight: 493.54824

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

InChI

InChI=1S/C28H31NO7/c1-7-35-27(32)21-16-29-25(20-15-23(34-6)22(33-5)14-19(20)21)26(31)18-10-8-9-17(13-18)11-12-24(30)36-28(2,3)4/h8-10,13-16H,7,11-12H2,1-6H3