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

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NC(C)C2=CC=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4/c1-15-13-18(10-11-19(15)22)26-12-6-9-21(25)27-14-20(24)23-16(2)17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16H,6,9,12,14H2,1-2H3,(H,23,24)/t16-/m1/s1