1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-bromoanilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(4-bromoanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-bromoanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(4-bromoanilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)Br)C(=O)O

InChI

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