1-[3-(3-bromophenyl)propanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[3-(3-bromophenyl)propanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[3-(3-bromophenyl)propanoylamino]cyclohexanecarboxylic acid CAS Name: 1-[[3-(3-bromophenyl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[3-(3-bromophenyl)propanoylamino]cyclohexane-1-carboxylic acid Traditional Name: 1-[3-(3-bromophenyl)propanoylamino]cyclohexanecarboxylic acid Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)CCC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)CCC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H20BrNO3/c17-13-6-4-5-12(11-13)7-8-14(19)18-16(15(20)21)9-2-1-3-10-16/h4-6,11H,1-3,7-10H2,(H,18,19)(H,20,21)