(E)-2-[2-(azepan-1-yl)-1-[(3-bromophenyl)methoxy]cyclopentyl]-6-oxidanylidene-hex-4-enoic acid

Systemtic Name: (E)-2-[2-(azepan-1-yl)-1-[(3-bromophenyl)methoxy]cyclopentyl]-6-oxidanylidene-hex-4-enoic acid Openeye Name: (E)-2-[2-(azepan-1-yl)-1-[(3-bromophenyl)methoxy]cyclopentyl]-6-oxo-hex-4-enoic acid CAS Name: (E)-2-[2-(1-azepanyl)-1-[(3-bromophenyl)methoxy]cyclopentyl]-6-oxo-4-hexenoic acid IUPAC Name: (E)-2-[2-(azepan-1-yl)-1-[(3-bromophenyl)methoxy]cyclopentyl]-6-oxohex-4-enoic acid Traditional Name: (E)-2-[2-(azepan-1-yl)-1-(3-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)C2CCCC2(C(CC=CC=O)C(=O)O)OCC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C2CCCC2(C(C/C=C/C=O)C(=O)O)OCC3=CC(=CC=C3)Br

InChI

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