4-[[carboxycarbonyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[carboxycarbonyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]methyl]benzoic acid Openeye Name: 4-[[[4-(dodecylcarbamoyl)phenyl]methyl-oxalo-amino]methyl]benzoic acid CAS Name: 4-[[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-oxaloamino]methyl]benzoic acid IUPAC Name: 4-[[[4-(dodecylcarbamoyl)phenyl]methyl-oxaloamino]methyl]benzoic acid Traditional Name: 4-[[[4-(laurylcarbamoyl)benzyl]-oxalo-amino]methyl]benzoic acid Formula: C30H40N2O6 MolecularWeight: 524.6484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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