[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H24N2O5/c1-12-6-5-7-15(18(12)21)20(24)27-13(2)19(23)22-11-14-8-9-16(25-3)17(10-14)26-4/h5-10,13H,11,21H2,1-4H3,(H,22,23)/t13-/m1/s1