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

Systemtic Name: 4-[(4-oxidanylidene-6-phenylmethoxycarbonyl-2H-1,3-benzoxazin-3-yl)methyl]benzoic acid Openeye Name: 4-[(6-benzyloxycarbonyl-4-oxo-2H-1,3-benzoxazin-3-yl)methyl]benzoic acid CAS Name: 4-[(4-oxo-6-phenylmethoxycarbonyl-2H-1,3-benzoxazin-3-yl)methyl]benzoic acid IUPAC Name: 4-[(4-oxo-6-phenylmethoxycarbonyl-2H-1,3-benzoxazin-3-yl)methyl]benzoic acid Traditional Name: 4-[(6-carbobenzoxy-4-keto-2H-1,3-benzoxazin-3-yl)methyl]benzoic acid Formula: C24H19NO6 MolecularWeight: 417.41076

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=O)C2=C(O1)C=CC(=C2)C(=O)OCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1N(C(=O)C2=C(O1)C=CC(=C2)C(=O)OCC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19NO6/c26-22-20-12-19(24(29)30-14-17-4-2-1-3-5-17)10-11-21(20)31-15-25(22)13-16-6-8-18(9-7-16)23(27)28/h1-12H,13-15H2,(H,27,28)