methyl 5-[3-[(4-bromophenyl)carbamoylamino]propyl-(1-phenylethyl)amino]hexanoate

Systemtic Name: methyl 5-[3-[(4-bromophenyl)carbamoylamino]propyl-(1-phenylethyl)amino]hexanoate Openeye Name: methyl 5-[3-[(4-bromophenyl)carbamoylamino]propyl-(1-phenylethyl)amino]hexanoate CAS Name: 5-[3-[[(4-bromoanilino)-oxomethyl]amino]propyl-(1-phenylethyl)amino]hexanoic acid methyl ester IUPAC Name: methyl 5-[3-[(4-bromophenyl)carbamoylamino]propyl-(1-phenylethyl)amino]hexanoate Traditional Name: 5-[3-[(4-bromophenyl)carbamoylamino]propyl-(1-phenylethyl)amino]hexanoic acid methyl ester Formula: C25H34BrN3O3 MolecularWeight: 504.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)OC)N(CCCNC(=O)NC1=CC=C(C=C1)Br)C(C)C2=CC=CC=C2

Isomeric SMILES

CC(CCCC(=O)OC)N(CCCNC(=O)NC1=CC=C(C=C1)Br)C(C)C2=CC=CC=C2

InChI

InChI=1S/C25H34BrN3O3/c1-19(9-7-12-24(30)32-3)29(20(2)21-10-5-4-6-11-21)18-8-17-27-25(31)28-23-15-13-22(26)14-16-23/h4-6,10-11,13-16,19-20H,7-9,12,17-18H2,1-3H3,(H2,27,28,31)