2-[3-bromanyl-1-ethyl-2-oxidanylidene-4-(phenylmethyl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-1-ethyl-2-oxidanylidene-4-(phenylmethyl)cyclohexyl]ethanoic acid Openeye Name: 2-(4-benzyl-3-bromo-1-ethyl-2-oxo-cyclohexyl)acetic acid CAS Name: 2-[3-bromo-1-ethyl-2-oxo-4-(phenylmethyl)cyclohexyl]acetic acid IUPAC Name: 2-(4-benzyl-3-bromo-1-ethyl-2-oxocyclohexyl)acetic acid Traditional Name: 2-(4-benzyl-3-bromo-1-ethyl-2-keto-cyclohexyl)acetic acid Formula: C17H21BrO3 MolecularWeight: 353.25084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(C(C1=O)Br)CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCC1(CCC(C(C1=O)Br)CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C17H21BrO3/c1-2-17(11-14(19)20)9-8-13(15(18)16(17)21)10-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3,(H,19,20)