methyl 4-[3-[aminocarbonyl-(4-bromophenyl)amino]propyl-(1-phenylethyl)amino]butanoate

Systemtic Name: methyl 4-[3-[aminocarbonyl-(4-bromophenyl)amino]propyl-(1-phenylethyl)amino]butanoate Openeye Name: methyl 4-[3-(4-bromo-N-carbamoyl-anilino)propyl-(1-phenylethyl)amino]butanoate CAS Name: 4-[3-(4-bromo-N-carbamoylanilino)propyl-(1-phenylethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[3-(4-bromo-N-carbamoylanilino)propyl-(1-phenylethyl)amino]butanoate Traditional Name: 4-[3-(4-bromo-N-carbamoyl-anilino)propyl-(1-phenylethyl)amino]butyric acid methyl ester Formula: C23H30BrN3O3 MolecularWeight: 476.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrN3O3/c1-18(19-8-4-3-5-9-19)26(15-6-10-22(28)30-2)16-7-17-27(23(25)29)21-13-11-20(24)12-14-21/h3-5,8-9,11-14,18H,6-7,10,15-17H2,1-2H3,(H2,25,29)