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

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-benzyl-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-3-oxo-4-(phenylmethyl)-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-benzyl-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-benzyl-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-12-7-8-14-15(9-12)23-16(10-17(20)21)18(22)19(14)11-13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,20,21)/t16-/m0/s1