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

Systemtic Name: ethyl 6,7-dimethoxy-1-[3-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]carbonyl-isoquinoline-4-carboxylate Openeye Name: ethyl 6,7-dimethoxy-1-[3-(3-oxo-3-pyrrolidin-1-yl-propyl)benzoyl]isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[oxo-[3-[3-oxo-3-(1-pyrrolidinyl)propyl]phenyl]methyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-[3-(3-oxo-3-pyrrolidin-1-ylpropyl)benzoyl]isoquinoline-4-carboxylate Traditional Name: 1-[3-(3-keto-3-pyrrolidino-propyl)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C28H30N2O6 MolecularWeight: 490.5476

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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)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)CCC(=O)N4CCCC4

InChI

InChI=1S/C28H30N2O6/c1-4-36-28(33)22-17-29-26(21-16-24(35-3)23(34-2)15-20(21)22)27(32)19-9-7-8-18(14-19)10-11-25(31)30-12-5-6-13-30/h7-9,14-17H,4-6,10-13H2,1-3H3