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

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[(4-isopropylphenyl)methyl]-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-(4-isopropylbenzyl)-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-13(2)16-7-5-15(6-8-16)12-22-17-9-4-14(3)10-18(17)26-19(21(22)25)11-20(23)24/h4-10,13,19H,11-12H2,1-3H3,(H,23,24)/t19-/m0/s1