4-[2-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(2-keto-7,8-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]benzoic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19NO7/c1-11-14-8-9-16(27-2)19(28-3)18(14)29-21(26)15(11)10-17(23)22-13-6-4-12(5-7-13)20(24)25/h4-9H,10H2,1-3H3,(H,22,23)(H,24,25)