ethyl 1-[3-[(2-bromophenyl)carbamoyl-butan-2-yl-amino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(2-bromophenyl)carbamoyl-butan-2-yl-amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(2-bromophenyl)carbamoyl-sec-butyl-amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[[(2-bromoanilino)-oxomethyl]-butan-2-ylamino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-bromophenyl)carbamoyl-butan-2-ylamino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(2-bromophenyl)carbamoyl-sec-butyl-amino]propanoyl]nipecotic acid ethyl ester Formula: C22H32BrN3O4 MolecularWeight: 482.41118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)N1CCCC(C1)C(=O)OCC)C(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CCC(C)N(CCC(=O)N1CCCC(C1)C(=O)OCC)C(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C22H32BrN3O4/c1-4-16(3)26(22(29)24-19-11-7-6-10-18(19)23)14-12-20(27)25-13-8-9-17(15-25)21(28)30-5-2/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3,(H,24,29)