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

Systemtic Name: methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(pyridin-4-ylmethyl)amino]butanoate Openeye Name: methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(4-pyridylmethyl)amino]butanoate CAS Name: 4-[3-[[(4-bromoanilino)-oxomethyl]amino]propyl-(pyridin-4-ylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(pyridin-4-ylmethyl)amino]butanoate Traditional Name: 4-[3-[(4-bromophenyl)carbamoylamino]propyl-(4-pyridylmethyl)amino]butyric acid methyl ester Formula: C21H27BrN4O3 MolecularWeight: 463.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN4O3/c1-29-20(27)4-2-14-26(16-17-9-12-23-13-10-17)15-3-11-24-21(28)25-19-7-5-18(22)6-8-19/h5-10,12-13H,2-4,11,14-16H2,1H3,(H2,24,25,28)