[(E)-1-[(3-bromophenyl)amino]-3-chloranyl-1-cyclopentyl-1-phenyl-pent-2-en-2-yl] hexanoate

Systemtic Name: [(E)-1-[(3-bromophenyl)amino]-3-chloranyl-1-cyclopentyl-1-phenyl-pent-2-en-2-yl] hexanoate Openeye Name: [(E)-1-[(3-bromoanilino)-cyclopentyl-phenyl-methyl]-2-chloro-but-1-enyl] hexanoate CAS Name: hexanoic acid [(E)-1-(3-bromoanilino)-3-chloro-1-cyclopentyl-1-phenylpent-2-en-2-yl] ester IUPAC Name: [(E)-1-(3-bromoanilino)-3-chloro-1-cyclopentyl-1-phenylpent-2-en-2-yl] hexanoate Traditional Name: hexanoic acid [(E)-1-[(3-bromoanilino)-cyclopentyl-phenyl-methyl]-2-chloro-but-1-enyl] ester Formula: C28H35BrClNO2 MolecularWeight: 532.94

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(=C(CC)Cl)C(C1CCCC1)(C2=CC=CC=C2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCC(=O)O/C(=C(\CC)/Cl)/C(C1CCCC1)(C2=CC=CC=C2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C28H35BrClNO2/c1-3-5-7-19-26(32)33-27(25(30)4-2)28(22-15-10-11-16-22,21-13-8-6-9-14-21)31-24-18-12-17-23(29)20-24/h6,8-9,12-14,17-18,20,22,31H,3-5,7,10-11,15-16,19H2,1-2H3/b27-25+