[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H22BrNO4/c18-13-5-3-8-15(11-13)22-10-4-9-17(21)23-12-16(20)19-14-6-1-2-7-14/h3,5,8,11,14H,1-2,4,6-7,9-10,12H2,(H,19,20)