ethyl 4-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoate

Systemtic Name: ethyl 4-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoate Openeye Name: ethyl 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoate CAS Name: 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoate Traditional Name: 4-[4-(3,4-diethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoic acid ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)OCC)OCC

InChI

InChI=1S/C27H30N2O5/c1-4-32-23-16-13-19(17-24(23)33-5-2)25-21-9-7-8-10-22(21)26(30)29(28-25)20-14-11-18(12-15-20)27(31)34-6-3/h7-8,11-17,21-22H,4-6,9-10H2,1-3H3