methyl 4-[1,3-benzodioxol-5-ylmethyl-[3-[(4-bromophenyl)carbamoylamino]propyl]amino]butanoate

Systemtic Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[3-[(4-bromophenyl)carbamoylamino]propyl]amino]butanoate Openeye Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[3-[(4-bromophenyl)carbamoylamino]propyl]amino]butanoate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-[[(4-bromoanilino)-oxomethyl]amino]propyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzodioxol-5-ylmethyl-[3-[(4-bromophenyl)carbamoylamino]propyl]amino]butanoate Traditional Name: 4-[3-[(4-bromophenyl)carbamoylamino]propyl-piperonyl-amino]butyric acid methyl ester Formula: C23H28BrN3O5 MolecularWeight: 506.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCCNC(=O)NC1=CC=C(C=C1)Br)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCCN(CCCNC(=O)NC1=CC=C(C=C1)Br)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H28BrN3O5/c1-30-22(28)4-2-12-27(15-17-5-10-20-21(14-17)32-16-31-20)13-3-11-25-23(29)26-19-8-6-18(24)7-9-19/h5-10,14H,2-4,11-13,15-16H2,1H3,(H2,25,26,29)