ethyl 1-(3-butoxyphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylate

Systemtic Name: ethyl 1-(3-butoxyphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylate Openeye Name: ethyl 1-(3-butoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 1-[(3-butoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-butoxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylate Traditional Name: 1-(3-butoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)OCC

InChI

InChI=1S/C25H27NO6/c1-5-7-11-32-17-10-8-9-16(12-17)24(27)23-19-14-22(30-4)21(29-3)13-18(19)20(15-26-23)25(28)31-6-2/h8-10,12-15H,5-7,11H2,1-4H3