2-[(2R)-3-oxidanylidene-4-(4-phenoxybutyl)-1,4-benzoxazin-2-yl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3OC(C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3O[C@@H](C2=O)CC(=O)O

InChI

InChI=1S/C20H21NO5/c22-19(23)14-18-20(24)21(16-10-4-5-11-17(16)26-18)12-6-7-13-25-15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2,(H,22,23)/t18-/m1/s1