5-[[3-[4-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-[4-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3-[4-(octadecanoylamino)phenyl]-3-oxo-propanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1,3-dioxo-3-[4-(1-oxooctadecylamino)phenyl]propyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[3-[4-(octadecanoylamino)phenyl]-3-oxopropanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[3-keto-3-(4-stearamidophenyl)propanoyl]amino]isophthalic acid Formula: C35H48N2O7 MolecularWeight: 608.76482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C35H48N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(39)36-29-20-18-26(19-21-29)31(38)25-33(40)37-30-23-27(34(41)42)22-28(24-30)35(43)44/h18-24H,2-17,25H2,1H3,(H,36,39)(H,37,40)(H,41,42)(H,43,44)