[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H31BrN2O4 MolecularWeight: 467.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1CCCCCC1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1CCCCCC1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C22H31BrN2O4/c1-14(2)19(25-21(27)17-12-8-9-13-18(17)23)22(28)29-15(3)20(26)24-16-10-6-4-5-7-11-16/h8-9,12-16,19H,4-7,10-11H2,1-3H3,(H,24,26)(H,25,27)