[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CC(=C(C=C2)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-13-6-8-17(10-15(13)3)16(4)22-20(23)12-26-21(24)18-9-7-14(2)19(11-18)25-5/h6-11,16H,12H2,1-5H3,(H,22,23)/t16-/m1/s1