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

Systemtic Name: methyl 1-[3-[(4-bromophenyl)carbonylamino]propanoylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[3-[(4-bromobenzoyl)amino]propanoylamino]cycloheptanecarboxylate CAS Name: 1-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(4-bromobenzoyl)amino]propanoylamino]cycloheptane-1-carboxylate Traditional Name: 1-[3-[(4-bromobenzoyl)amino]propanoylamino]cycloheptanecarboxylic acid methyl ester Formula: C19H25BrN2O4 MolecularWeight: 425.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H25BrN2O4/c1-26-18(25)19(11-4-2-3-5-12-19)22-16(23)10-13-21-17(24)14-6-8-15(20)9-7-14/h6-9H,2-5,10-13H2,1H3,(H,21,24)(H,22,23)