methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(phenylmethyl)amino]butanoate

Systemtic Name: methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(phenylmethyl)amino]butanoate Openeye Name: methyl 4-[benzyl-[3-[(4-bromophenyl)carbamoylamino]propyl]amino]butanoate CAS Name: 4-[3-[[(4-bromoanilino)-oxomethyl]amino]propyl-(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[benzyl-[3-[(4-bromophenyl)carbamoylamino]propyl]amino]butanoate Traditional Name: 4-[benzyl-[3-[(4-bromophenyl)carbamoylamino]propyl]amino]butyric acid methyl ester Formula: C22H28BrN3O3 MolecularWeight: 462.38002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCCNC(=O)NC1=CC=C(C=C1)Br)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCN(CCCNC(=O)NC1=CC=C(C=C1)Br)CC2=CC=CC=C2

InChI

InChI=1S/C22H28BrN3O3/c1-29-21(27)9-5-15-26(17-18-7-3-2-4-8-18)16-6-14-24-22(28)25-20-12-10-19(23)11-13-20/h2-4,7-8,10-13H,5-6,9,14-17H2,1H3,(H2,24,25,28)