4-[[(2S)-2-(carboxymethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2S)-2-(carboxymethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2S)-2-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2S)-2-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2S)-2-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2S)-2-(carboxymethyl)-3-keto-7-methyl-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17NO6/c1-11-2-7-14-15(8-11)26-16(9-17(21)22)18(23)20(14)10-12-3-5-13(6-4-12)19(24)25/h2-8,16H,9-10H2,1H3,(H,21,22)(H,24,25)/t16-/m0/s1