[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)OC(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)OC(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO3/c1-4-18-12-8-9-15(2)20(18)22-21(24)16(3)25-19(23)14-13-17-10-6-5-7-11-17/h5-12,16H,4,13-14H2,1-3H3,(H,22,24)