3-[(13-oxidanylidene-6,11-dihydroisoquinolino[3,2-b]quinazolin-6-yl)methyl]benzoic acid

Systemtic Name: 3-[(13-oxidanylidene-6,11-dihydroisoquinolino[3,2-b]quinazolin-6-yl)methyl]benzoic acid Openeye Name: 3-[(13-oxo-6,11-dihydroisoquinolino[3,2-b]quinazolin-6-yl)methyl]benzoic acid CAS Name: 3-[(13-oxo-6,11-dihydroisoquinolino[3,2-b]quinazolin-6-yl)methyl]benzoic acid IUPAC Name: 3-[(13-oxo-6,11-dihydroisoquinolino[3,2-b]quinazolin-6-yl)methyl]benzoic acid Traditional Name: 3-[(13-keto-6,11-dihydroisoquinolino[3,2-b]quinazolin-6-yl)methyl]benzoic acid Formula: C24H18N2O3 MolecularWeight: 382.41132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=NC4=CC=CC=C4C(=O)N31)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(C3=NC4=CC=CC=C4C(=O)N31)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C24H18N2O3/c27-23-19-10-3-4-11-21(19)25-22-20(13-15-6-5-8-16(12-15)24(28)29)18-9-2-1-7-17(18)14-26(22)23/h1-12,20H,13-14H2,(H,28,29)