ethyl 4-[4-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(3-bromo-4-methoxyphenyl)propanoylamino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H32BrN3O5 MolecularWeight: 498.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C22H32BrN3O5/c1-3-31-22(29)26-13-10-17(11-14-26)25-21(28)5-4-12-24-20(27)9-7-16-6-8-19(30-2)18(23)15-16/h6,8,15,17H,3-5,7,9-14H2,1-2H3,(H,24,27)(H,25,28)