(E)-2-[2-(azepan-1-yl)-5-[(4-bromophenyl)methoxy]cyclopentyl]-6-oxidanylidene-hex-4-enoic acid

Systemtic Name: (E)-2-[2-(azepan-1-yl)-5-[(4-bromophenyl)methoxy]cyclopentyl]-6-oxidanylidene-hex-4-enoic acid Openeye Name: (E)-2-[2-(azepan-1-yl)-5-[(4-bromophenyl)methoxy]cyclopentyl]-6-oxo-hex-4-enoic acid CAS Name: (E)-2-[2-(1-azepanyl)-5-[(4-bromophenyl)methoxy]cyclopentyl]-6-oxo-4-hexenoic acid IUPAC Name: (E)-2-[2-(azepan-1-yl)-5-[(4-bromophenyl)methoxy]cyclopentyl]-6-oxohex-4-enoic acid Traditional Name: (E)-2-[2-(azepan-1-yl)-5-(4-bromobenzyl)oxy-cyclopentyl]-6-keto-hex-4-enoic acid Formula: C24H32BrNO4 MolecularWeight: 478.41918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCC(C2C(CC=CC=O)C(=O)O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C2CCC(C2C(C/C=C/C=O)C(=O)O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H32BrNO4/c25-19-10-8-18(9-11-19)17-30-22-13-12-21(26-14-4-1-2-5-15-26)23(22)20(24(28)29)7-3-6-16-27/h3,6,8-11,16,20-23H,1-2,4-5,7,12-15,17H2,(H,28,29)/b6-3+