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

Systemtic Name: 2-[(2S)-7-methyl-4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-methyl-3-oxo-4-(p-tolylmethyl)-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-7-methyl-4-(4-methylbenzyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C)OC(C2=O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C)O[C@H](C2=O)CC(=O)O

InChI

InChI=1S/C19H19NO4/c1-12-3-6-14(7-4-12)11-20-15-8-5-13(2)9-16(15)24-17(19(20)23)10-18(21)22/h3-9,17H,10-11H2,1-2H3,(H,21,22)/t17-/m0/s1