[4-[(E)-2-(6,7-dipropoxy-3,4-dihydroisoquinolin-1-yl)ethenyl]phenyl] ethanoate

Systemtic Name: [4-[(E)-2-(6,7-dipropoxy-3,4-dihydroisoquinolin-1-yl)ethenyl]phenyl] ethanoate Openeye Name: [4-[(E)-2-(6,7-dipropoxy-3,4-dihydroisoquinolin-1-yl)vinyl]phenyl] acetate CAS Name: acetic acid [4-[(E)-2-(6,7-dipropoxy-3,4-dihydroisoquinolin-1-yl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(6,7-dipropoxy-3,4-dihydroisoquinolin-1-yl)ethenyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-2-(6,7-dipropoxy-3,4-dihydroisoquinolin-1-yl)vinyl]phenyl] ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)CCN=C2C=CC3=CC=C(C=C3)OC(=O)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)CCN=C2/C=C/C3=CC=C(C=C3)OC(=O)C)OCCC

InChI

InChI=1S/C25H29NO4/c1-4-14-28-24-16-20-12-13-26-23(22(20)17-25(24)29-15-5-2)11-8-19-6-9-21(10-7-19)30-18(3)27/h6-11,16-17H,4-5,12-15H2,1-3H3/b11-8+