4-[1,3-benzodioxol-5-ylmethyl-[3-[(2-phenylphenyl)carbamoylamino]propyl]amino]butanoic acid

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-[(2-phenylphenyl)carbamoylamino]propyl]amino]butanoic acid Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-[(2-phenylphenyl)carbamoylamino]propyl]amino]butanoic acid CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-[[oxo-(2-phenylanilino)methyl]amino]propyl]amino]butanoic acid IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl-[3-[(2-phenylphenyl)carbamoylamino]propyl]amino]butanoic acid Traditional Name: 4-[3-[(2-phenylphenyl)carbamoylamino]propyl-piperonyl-amino]butyric acid Formula: C28H31N3O5 MolecularWeight: 489.56284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCCC(=O)O)CCCNC(=O)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCCC(=O)O)CCCNC(=O)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5/c32-27(33)12-6-16-31(19-21-13-14-25-26(18-21)36-20-35-25)17-7-15-29-28(34)30-24-11-5-4-10-23(24)22-8-2-1-3-9-22/h1-5,8-11,13-14,18H,6-7,12,15-17,19-20H2,(H,32,33)(H2,29,30,34)