4-[1-(dibutylamino)octan-4-yloxycarbonylamino]benzoic acid

Systemtic Name: 4-[1-(dibutylamino)octan-4-yloxycarbonylamino]benzoic acid Openeye Name: 4-[1-[3-(dibutylamino)propyl]pentoxycarbonylamino]benzoic acid CAS Name: 4-[[1-(dibutylamino)octan-4-yloxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[1-(dibutylamino)octan-4-yloxycarbonylamino]benzoic acid Traditional Name: 4-[1-[3-(dibutylamino)propyl]pentoxycarbonylamino]benzoic acid Formula: C24H40N2O4 MolecularWeight: 420.5854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCN(CCCC)CCCC)OC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCC(CCCN(CCCC)CCCC)OC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C24H40N2O4/c1-4-7-11-22(12-10-19-26(17-8-5-2)18-9-6-3)30-24(29)25-21-15-13-20(14-16-21)23(27)28/h13-16,22H,4-12,17-19H2,1-3H3,(H,25,29)(H,27,28)