ethyl (2Z)-2-[4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxidanylidene-isoquinolin-3-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2Z)-2-[4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxidanylidene-isoquinolin-3-ylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2Z)-2-[4-(1,3-benzodioxol-5-ylmethylene)-2-(1-naphthyl)-1-oxo-3-isoquinolylidene]-3-oxo-butanoate CAS Name: (2Z)-2-[4-(1,3-benzodioxol-5-ylmethylidene)-2-(1-naphthalenyl)-1-oxo-3-isoquinolinylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxoisoquinolin-3-ylidene]-3-oxobutanoate Traditional Name: (2Z)-3-keto-2-[1-keto-2-(1-naphthyl)-4-piperonylidene-3-isoquinolylidene]butyric acid ethyl ester Formula: C33H25NO6 MolecularWeight: 531.5547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C(=O)N1C5=CC=CC6=CC=CC=C65)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C\1/C(=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C(=O)N1C5=CC=CC6=CC=CC=C65)/C(=O)C

InChI

InChI=1S/C33H25NO6/c1-3-38-33(37)30(20(2)35)31-26(17-21-15-16-28-29(18-21)40-19-39-28)24-12-6-7-13-25(24)32(36)34(31)27-14-8-10-22-9-4-5-11-23(22)27/h4-18H,3,19H2,1-2H3/b26-17?,31-30-