4-[[4-oxidanylidene-6-[(phenylmethyl)carbamoyl]-2H-1,3-benzoxazin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-[(phenylmethyl)carbamoyl]-2H-1,3-benzoxazin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(benzylcarbamoyl)-4-oxo-2H-1,3-benzoxazin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-[(phenylmethyl)amino]methyl]-2H-1,3-benzoxazin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(benzylcarbamoyl)-4-oxo-2H-1,3-benzoxazin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(benzylcarbamoyl)-4-keto-2H-1,3-benzoxazin-3-yl]methyl]benzoic acid Formula: C24H20N2O5 MolecularWeight: 416.426

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=O)C2=C(O1)C=CC(=C2)C(=O)NCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1N(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/C24H20N2O5/c27-22(25-13-16-4-2-1-3-5-16)19-10-11-21-20(12-19)23(28)26(15-31-21)14-17-6-8-18(9-7-17)24(29)30/h1-12H,13-15H2,(H,25,27)(H,29,30)