3-[[3-(4-hydroxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-[methyl(octadecyl)amino]benzoic acid

Systemtic Name: 3-[[3-(4-hydroxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-[methyl(octadecyl)amino]benzoic acid Openeye Name: 3-[[3-(4-hydroxyphenyl)-3-oxo-propanoyl]amino]-4-[methyl(octadecyl)amino]benzoic acid CAS Name: 3-[[3-(4-hydroxyphenyl)-1,3-dioxopropyl]amino]-4-[methyl(octadecyl)amino]benzoic acid IUPAC Name: 3-[[3-(4-hydroxyphenyl)-3-oxopropanoyl]amino]-4-[methyl(octadecyl)amino]benzoic acid Traditional Name: 3-[[3-(4-hydroxyphenyl)-3-keto-propanoyl]amino]-4-[methyl(stearyl)amino]benzoic acid Formula: C35H52N2O5 MolecularWeight: 580.79778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)CC(=O)C2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)CC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C35H52N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-37(2)32-24-21-29(35(41)42)26-31(32)36-34(40)27-33(39)28-19-22-30(38)23-20-28/h19-24,26,38H,3-18,25,27H2,1-2H3,(H,36,40)(H,41,42)