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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4/c1-13-7-8-15-16(11-13)24-17(12-18(21)22)19(23)20(15)10-9-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,21,22)/t17-/m0/s1