2-[(2R)-6-chloranyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2R)-6-chloranyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-6-chloro-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2R)-6-chloro-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2R)-6-chloro-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2R)-6-chloro-3-keto-4-(3-phenylpropyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C3=C(C=CC(=C3)Cl)OC(C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C3=C(C=CC(=C3)Cl)O[C@@H](C2=O)CC(=O)O

InChI

InChI=1S/C19H18ClNO4/c20-14-8-9-16-15(11-14)21(19(24)17(25-16)12-18(22)23)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,22,23)/t17-/m1/s1