methyl 1-[3-[(4-bromophenyl)carbonylamino]propanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-[(4-bromophenyl)carbonylamino]propanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-[(4-bromobenzoyl)amino]propanoylamino]cyclohexanecarboxylate CAS Name: 1-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(4-bromobenzoyl)amino]propanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[3-[(4-bromobenzoyl)amino]propanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrN2O4/c1-25-17(24)18(10-3-2-4-11-18)21-15(22)9-12-20-16(23)13-5-7-14(19)8-6-13/h5-8H,2-4,9-12H2,1H3,(H,20,23)(H,21,22)