3-azanyl-5-[3-(2-morpholin-4-yl-4-oxidanylidene-chromen-8-yl)phenyl]benzoic acid

Systemtic Name: 3-azanyl-5-[3-(2-morpholin-4-yl-4-oxidanylidene-chromen-8-yl)phenyl]benzoic acid Openeye Name: 3-amino-5-[3-(2-morpholino-4-oxo-chromen-8-yl)phenyl]benzoic acid CAS Name: 3-amino-5-[3-[2-(4-morpholinyl)-4-oxo-1-benzopyran-8-yl]phenyl]benzoic acid IUPAC Name: 3-amino-5-[3-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]benzoic acid Traditional Name: 3-amino-5-[3-(4-keto-2-morpholino-chromen-8-yl)phenyl]benzoic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC(=CC=C4)C5=CC(=CC(=C5)N)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC(=CC=C4)C5=CC(=CC(=C5)N)C(=O)O

InChI

InChI=1S/C26H22N2O5/c27-20-13-18(12-19(14-20)26(30)31)16-3-1-4-17(11-16)21-5-2-6-22-23(29)15-24(33-25(21)22)28-7-9-32-10-8-28/h1-6,11-15H,7-10,27H2,(H,30,31)