[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(3-methylphenoxy)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(3-methylphenoxy)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-2-(3-methylphenoxy)propanoate CAS Name: (2S)-2-(3-methylphenoxy)propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(3-methylphenoxy)propanoate Traditional Name: (2S)-2-(3-methylphenoxy)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C)OC2=CC=CC(=C2)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](C)OC2=CC=CC(=C2)C)C

InChI

InChI=1S/C21H25NO4/c1-5-17-10-7-9-15(3)20(17)22-19(23)13-25-21(24)16(4)26-18-11-6-8-14(2)12-18/h6-12,16H,5,13H2,1-4H3,(H,22,23)/t16-/m0/s1