[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-methyl-benzoate

Systemtic Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methoxy-5-methyl-benzoate Openeye Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl] 2-methoxy-5-methyl-benzoate CAS Name: 2-methoxy-5-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] 2-methoxy-5-methylbenzoate Traditional Name: 2-methoxy-5-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=CC(=C(C=C1)OC)C(=O)OCC(=O)NC(C)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)OCC(=O)N[C@H](C)C2=CC(=C(C=C2)C)C

InChI

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