3-azanyl-3-(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)pentanedioic acid

Systemtic Name: 3-azanyl-3-(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)pentanedioic acid Openeye Name: 3-amino-3-(7-hydroxy-2-methyl-4-oxo-3-phenyl-chromen-8-yl)pentanedioic acid CAS Name: 3-amino-3-(7-hydroxy-2-methyl-4-oxo-3-phenyl-1-benzopyran-8-yl)pentanedioic acid IUPAC Name: 3-amino-3-(7-hydroxy-2-methyl-4-oxo-3-phenylchromen-8-yl)pentanedioic acid Traditional Name: 3-amino-3-(7-hydroxy-4-keto-2-methyl-3-phenyl-chromen-8-yl)glutaric acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C(CC(=O)O)(CC(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C(CC(=O)O)(CC(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO7/c1-11-17(12-5-3-2-4-6-12)19(28)13-7-8-14(23)18(20(13)29-11)21(22,9-15(24)25)10-16(26)27/h2-8,23H,9-10,22H2,1H3,(H,24,25)(H,26,27)