3-[[1-[(3-ethoxyphenyl)methyl]-4-methanoyl-7-methoxy-1,2-dihydroisoquinolin-6-yl]oxy]propyl ethanoate

Systemtic Name: 3-[[1-[(3-ethoxyphenyl)methyl]-4-methanoyl-7-methoxy-1,2-dihydroisoquinolin-6-yl]oxy]propyl ethanoate Openeye Name: 3-[[1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1,2-dihydroisoquinolin-6-yl]oxy]propyl acetate CAS Name: acetic acid 3-[[1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1,2-dihydroisoquinolin-6-yl]oxy]propyl ester IUPAC Name: 3-[[1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1,2-dihydroisoquinolin-6-yl]oxy]propyl acetate Traditional Name: acetic acid 3-[[1-(3-ethoxybenzyl)-4-formyl-7-methoxy-1,2-dihydroisoquinolin-6-yl]oxy]propyl ester Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C(=CN2)C=O)OCCCOC(=O)C)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C(=CN2)C=O)OCCCOC(=O)C)OC

InChI

InChI=1S/C25H29NO6/c1-4-30-20-8-5-7-18(11-20)12-23-22-14-24(29-3)25(32-10-6-9-31-17(2)28)13-21(22)19(16-27)15-26-23/h5,7-8,11,13-16,23,26H,4,6,9-10,12H2,1-3H3