[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=CC=C2)Br

InChI

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