2-[1,3-benzodioxol-5-ylmethyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxo-acetic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[[3-[(dodecylamino)-oxomethyl]phenyl]methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[[3-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[3-(laurylcarbamoyl)benzyl]-piperonyl-amino]acetic acid Formula: C30H40N2O6 MolecularWeight: 524.6484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C(=O)O

InChI

InChI=1S/C30H40N2O6/c1-2-3-4-5-6-7-8-9-10-11-17-31-28(33)25-14-12-13-23(18-25)20-32(29(34)30(35)36)21-24-15-16-26-27(19-24)38-22-37-26/h12-16,18-19H,2-11,17,20-22H2,1H3,(H,31,33)(H,35,36)