[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25NO3/c1-5-17-7-10-18(11-8-17)21(24)25-13-20(23)22-16(4)19-9-6-14(2)15(3)12-19/h6-12,16H,5,13H2,1-4H3,(H,22,23)/t16-/m1/s1