3-[1-(3-ethoxyphenyl)carbonyl-4-methanoyl-7-methoxy-isoquinolin-6-yl]oxypropyl ethanoate

Systemtic Name: 3-[1-(3-ethoxyphenyl)carbonyl-4-methanoyl-7-methoxy-isoquinolin-6-yl]oxypropyl ethanoate Openeye Name: 3-[[1-(3-ethoxybenzoyl)-4-formyl-7-methoxy-6-isoquinolyl]oxy]propyl acetate CAS Name: acetic acid 3-[[1-[(3-ethoxyphenyl)-oxomethyl]-4-formyl-7-methoxy-6-isoquinolinyl]oxy]propyl ester IUPAC Name: 3-[1-(3-ethoxybenzoyl)-4-formyl-7-methoxyisoquinolin-6-yl]oxypropyl acetate Traditional Name: acetic acid 3-[[1-(3-ethoxybenzoyl)-4-formyl-7-methoxy-6-isoquinolyl]oxy]propyl ester Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCCOC(=O)C)C=O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCCOC(=O)C)C=O

InChI

InChI=1S/C25H25NO7/c1-4-31-19-8-5-7-17(11-19)25(29)24-21-13-22(30-3)23(33-10-6-9-32-16(2)28)12-20(21)18(15-27)14-26-24/h5,7-8,11-15H,4,6,9-10H2,1-3H3