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

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(3-phenoxypropyl)-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-7-methyl-4-(3-phenoxypropyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5/c1-14-8-9-16-17(12-14)26-18(13-19(22)23)20(24)21(16)10-5-11-25-15-6-3-2-4-7-15/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,22,23)/t18-/m0/s1