ethanoic acid; 2-[[5-[3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: ethanoic acid; 2-[[5-[3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenyl]methyl]isoindole-1,3-dione Openeye Name: acetic acid; 2-[[5-[3-(2-furylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: acetic acid; 2-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: acetic acid; 2-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: acetic acid; 2-[5-[3-(2-furfuryl)-4-keto-1,2-dihydroquinazolin-2-yl]-2-methoxy-benzyl]isoindoline-1,3-quinone Formula: C31H27N3O7 MolecularWeight: 553.56198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC(=O)O.COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H23N3O5.C2H4O2/c1-36-25-13-12-18(15-19(25)16-32-27(33)21-8-2-3-9-22(21)28(32)34)26-30-24-11-5-4-10-23(24)29(35)31(26)17-20-7-6-14-37-20;1-2(3)4/h2-15,26,30H,16-17H2,1H3;1H3,(H,3,4)