ethyl 4-[2-chloranyl-6-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-chloranyl-6-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-chloro-6-[(3,4-dimethoxybenzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-6-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-6-[(3,4-dimethoxybenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-6-(veratroylamino)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26ClN3O5 MolecularWeight: 447.91194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26ClN3O5/c1-4-31-22(28)26-12-10-25(11-13-26)20-16(23)6-5-7-17(20)24-21(27)15-8-9-18(29-2)19(14-15)30-3/h5-9,14H,4,10-13H2,1-3H3,(H,24,27)