[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)NC2CCCC2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)NC2CCCC2)Br)OC

InChI

InChI=1S/C17H22BrNO5/c1-22-14-7-11(13(18)9-15(14)23-2)8-17(21)24-10-16(20)19-12-5-3-4-6-12/h7,9,12H,3-6,8,10H2,1-2H3,(H,19,20)