[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(N(C(=C1)C)C2=C(C=CC(=C2)Cl)OC)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(N(C(=C1)C)C2=C(C=CC(=C2)Cl)OC)C

InChI

InChI=1S/C21H27ClN2O4/c1-6-16(7-2)23-20(25)12-28-21(26)17-10-13(3)24(14(17)4)18-11-15(22)8-9-19(18)27-5/h8-11,16H,6-7,12H2,1-5H3,(H,23,25)