4-[[2-methyl-4-oxidanylidene-6-[(phenylmethyl)carbamoyl]chromen-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-methyl-4-oxidanylidene-6-[(phenylmethyl)carbamoyl]chromen-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(benzylcarbamoyl)-2-methyl-4-oxo-chromen-3-yl]methyl]benzoic acid CAS Name: 4-[[2-methyl-4-oxo-6-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(benzylcarbamoyl)-2-methyl-4-oxochromen-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(benzylcarbamoyl)-4-keto-2-methyl-chromen-3-yl]methyl]benzoic acid Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H21NO5/c1-16-21(13-17-7-9-19(10-8-17)26(30)31)24(28)22-14-20(11-12-23(22)32-16)25(29)27-15-18-5-3-2-4-6-18/h2-12,14H,13,15H2,1H3,(H,27,29)(H,30,31)