ethyl 4-[[5-[(3-bromophenyl)methylamino]-5-oxidanylidene-pentanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(3-bromophenyl)methylamino]-5-oxidanylidene-pentanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-[(3-bromophenyl)methylamino]-5-oxo-pentanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-[(3-bromophenyl)methylamino]-1,5-dioxopentyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(3-bromophenyl)methylamino]-5-oxopentanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-[(3-bromobenzyl)amino]-5-keto-pentanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H28BrN3O4 MolecularWeight: 454.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCC(=O)NCC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCC(=O)NCC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H28BrN3O4/c1-2-28-20(27)24-11-9-17(10-12-24)23-19(26)8-4-7-18(25)22-14-15-5-3-6-16(21)13-15/h3,5-6,13,17H,2,4,7-12,14H2,1H3,(H,22,25)(H,23,26)