[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OC(C)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)O[C@H](C)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O5/c1-13-10-18(14(2)24(13)17-7-8-17)22(26)29-15(3)21(25)23-12-16-6-9-19(27-4)20(11-16)28-5/h6,9-11,15,17H,7-8,12H2,1-5H3,(H,23,25)/t15-/m1/s1