[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chloranylphenoxy)propanoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chloranylphenoxy)propanoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-2-(4-chlorophenoxy)propanoate CAS Name: (2S)-2-(4-chlorophenoxy)propanoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate Traditional Name: (2S)-2-(4-chlorophenoxy)propionic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C(C)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO4/c1-13(2)18-7-5-6-14(3)20(18)23-19(24)12-26-21(25)15(4)27-17-10-8-16(22)9-11-17/h5-11,13,15H,12H2,1-4H3,(H,23,24)/t15-/m0/s1