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

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-7-methyl-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO4/c1-14-9-10-16-17(12-14)25-18(13-19(22)23)20(24)21(16)11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3,(H,22,23)/t18-/m0/s1