[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [(1R)-2-amino-2-oxo-1-phenyl-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [(1R)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-amino-2-oxo-1-phenylethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [(1R)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OC(C2=CC=CC=C2)C(=O)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)O[C@H](C2=CC=CC=C2)C(=O)N)Cl

InChI

InChI=1S/C19H20ClNO4/c1-13-12-15(9-10-16(13)20)24-11-5-8-17(22)25-18(19(21)23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3,(H2,21,23)/t18-/m1/s1