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

Systemtic Name: 5-[[3-[3-(hexadecanoylamino)phenyl]-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3-[3-(hexadecanoylamino)phenyl]-3-oxo-propanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[1,3-dioxo-3-[3-(1-oxohexadecylamino)phenyl]propyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[3-[3-(hexadecanoylamino)phenyl]-3-oxopropanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[3-keto-3-(3-palmitamidophenyl)propanoyl]amino]isophthalic acid Formula: C33H44N2O7 MolecularWeight: 580.71166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-30(37)34-27-17-15-16-24(20-27)29(36)23-31(38)35-28-21-25(32(39)40)19-26(22-28)33(41)42/h15-17,19-22H,2-14,18,23H2,1H3,(H,34,37)(H,35,38)(H,39,40)(H,41,42)