[4-(4-propylcyclohexyl)cyclohexyl] 3-(4-bromophenyl)-3-oxidanylidene-propanoate

Systemtic Name: [4-(4-propylcyclohexyl)cyclohexyl] 3-(4-bromophenyl)-3-oxidanylidene-propanoate Openeye Name: [4-(4-propylcyclohexyl)cyclohexyl] 3-(4-bromophenyl)-3-oxo-propanoate CAS Name: 3-(4-bromophenyl)-3-oxopropanoic acid [4-(4-propylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-propylcyclohexyl)cyclohexyl] 3-(4-bromophenyl)-3-oxopropanoate Traditional Name: 3-(4-bromophenyl)-3-keto-propionic acid [4-(4-propylcyclohexyl)cyclohexyl] ester Formula: C24H33BrO3 MolecularWeight: 449.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2CCC(CC2)OC(=O)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1CCC(CC1)C2CCC(CC2)OC(=O)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H33BrO3/c1-2-3-17-4-6-18(7-5-17)19-10-14-22(15-11-19)28-24(27)16-23(26)20-8-12-21(25)13-9-20/h8-9,12-13,17-19,22H,2-7,10-11,14-16H2,1H3