4-(dimethylamino)-3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 4-(dimethylamino)-3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 4-(dimethylamino)-3-[[3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]benzoic acid CAS Name: 4-(dimethylamino)-3-[[3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 4-(dimethylamino)-3-[[3-(2-octadecoxyphenyl)-3-oxopropanoyl]amino]benzoic acid Traditional Name: 4-(dimethylamino)-3-[[3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]benzoic acid Formula: C36H54N2O5 MolecularWeight: 594.82436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)O)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)C(=O)O)N(C)C

InChI

InChI=1S/C36H54N2O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-43-34-23-20-19-22-30(34)33(39)28-35(40)37-31-27-29(36(41)42)24-25-32(31)38(2)3/h19-20,22-25,27H,4-18,21,26,28H2,1-3H3,(H,37,40)(H,41,42)