[(E)-1-acetyloxy-3-[1-oxidanylidene-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]prop-2-enyl] ethanoate

Systemtic Name: [(E)-1-acetyloxy-3-[1-oxidanylidene-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]prop-2-enyl] ethanoate Openeye Name: [(E)-1-acetoxy-3-[1-oxo-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]allyl] acetate CAS Name: acetic acid [(E)-1-acetyloxy-3-[1-oxo-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]prop-2-enyl] ester IUPAC Name: [(E)-1-acetyloxy-3-[1-oxo-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]prop-2-enyl] acetate Traditional Name: acetic acid [(E)-1-acetoxy-3-[1-keto-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]allyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C=CC1=CC2=C(C=C1)C(=O)N(CC2)CCCC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)OC(/C=C/C1=CC2=C(C=C1)C(=O)N(CC2)CCCC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C25H27NO5/c1-18(27)30-24(31-19(2)28)13-11-21-10-12-23-22(17-21)14-16-26(25(23)29)15-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,17,24H,6,9,14-16H2,1-2H3/b13-11+