5-[[3-(octadecanoylamino)phenyl]methyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-(octadecanoylamino)phenyl]methyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(1-hydroxynaphthalene-2-carbonyl)-[[3-(octadecanoylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(1-hydroxy-2-naphthalenyl)-oxomethyl]-[[3-(1-oxooctadecylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(1-hydroxynaphthalene-2-carbonyl)-[[3-(octadecanoylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(1-hydroxy-2-naphthoyl)-(3-stearamidobenzyl)amino]isophthalic acid Formula: C44H54N2O7 MolecularWeight: 722.90876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)CN(C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)C3=C(C4=CC=CC=C4C=C3)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)CN(C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)C3=C(C4=CC=CC=C4C=C3)O

InChI

InChI=1S/C44H54N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-40(47)45-36-22-19-20-32(27-36)31-46(37-29-34(43(50)51)28-35(30-37)44(52)53)42(49)39-26-25-33-21-17-18-23-38(33)41(39)48/h17-23,25-30,48H,2-16,24,31H2,1H3,(H,45,47)(H,50,51)(H,52,53)