methyl (E)-7-[5-[(4-bromophenyl)methoxy]-3-oxidanylidene-2-piperidin-1-yl-cyclopentyl]hept-4-enoate

Systemtic Name: methyl (E)-7-[5-[(4-bromophenyl)methoxy]-3-oxidanylidene-2-piperidin-1-yl-cyclopentyl]hept-4-enoate Openeye Name: methyl (E)-7-[5-[(4-bromophenyl)methoxy]-3-oxo-2-(1-piperidyl)cyclopentyl]hept-4-enoate CAS Name: (E)-7-[5-[(4-bromophenyl)methoxy]-3-oxo-2-(1-piperidinyl)cyclopentyl]-4-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[5-[(4-bromophenyl)methoxy]-3-oxo-2-piperidin-1-ylcyclopentyl]hept-4-enoate Traditional Name: (E)-7-[5-(4-bromobenzyl)oxy-3-keto-2-piperidino-cyclopentyl]hept-4-enoic acid methyl ester Formula: C25H34BrNO4 MolecularWeight: 492.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC=CCCC1C(CC(=O)C1N2CCCCC2)OCC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)CC/C=C/CCC1C(CC(=O)C1N2CCCCC2)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H34BrNO4/c1-30-24(29)10-6-3-2-5-9-21-23(31-18-19-11-13-20(26)14-12-19)17-22(28)25(21)27-15-7-4-8-16-27/h2-3,11-14,21,23,25H,4-10,15-18H2,1H3/b3-2+