ethyl N-[1-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-4-methyl-pentan-2-yl]carbamate

Systemtic Name: ethyl N-[1-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-4-methyl-pentan-2-yl]carbamate Openeye Name: ethyl N-[1-[[3-[(4-bromobenzoyl)amino]propanoylamino]methyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-methylpentan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[3-[(4-bromobenzoyl)amino]propanoylamino]-4-methylpentan-2-yl]carbamate Traditional Name: N-[1-[[3-[(4-bromobenzoyl)amino]propanoylamino]methyl]-3-methyl-butyl]carbamic acid ethyl ester Formula: C19H28BrN3O4 MolecularWeight: 442.34732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC(C)C)CNC(=O)CCNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCOC(=O)NC(CC(C)C)CNC(=O)CCNC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C19H28BrN3O4/c1-4-27-19(26)23-16(11-13(2)3)12-22-17(24)9-10-21-18(25)14-5-7-15(20)8-6-14/h5-8,13,16H,4,9-12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)