1-[2-(4-bromophenyl)ethanoylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-(4-bromophenyl)ethanoylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[2-(4-bromophenyl)acetyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[2-(4-bromophenyl)-1-oxoethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[2-(4-bromophenyl)acetyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(4-bromophenyl)acetyl]amino]cycloheptanecarboxylic acid Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrNO3/c17-13-7-5-12(6-8-13)11-14(19)18-16(15(20)21)9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H,18,19)(H,20,21)