ethyl 4-[4-[(3-bromophenyl)carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-bromophenyl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-bromobenzoyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(3-bromophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-bromobenzoyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-bromobenzoyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C19H26BrN3O4 MolecularWeight: 440.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C19H26BrN3O4/c1-2-27-19(26)23-11-8-16(9-12-23)22-17(24)7-4-10-21-18(25)14-5-3-6-15(20)13-14/h3,5-6,13,16H,2,4,7-12H2,1H3,(H,21,25)(H,22,24)