3-(dimethylamino)-2-[3-(octadecylamino)-2-(3-oxidanylidenepropyl)phenyl]propanoic acid

Systemtic Name: 3-(dimethylamino)-2-[3-(octadecylamino)-2-(3-oxidanylidenepropyl)phenyl]propanoic acid Openeye Name: 3-(dimethylamino)-2-[3-(octadecylamino)-2-(3-oxopropyl)phenyl]propanoic acid CAS Name: 3-(dimethylamino)-2-[3-(octadecylamino)-2-(3-oxopropyl)phenyl]propanoic acid IUPAC Name: 3-(dimethylamino)-2-[3-(octadecylamino)-2-(3-oxopropyl)phenyl]propanoic acid Traditional Name: 3-(dimethylamino)-2-[2-(3-ketopropyl)-3-(stearylamino)phenyl]propionic acid Formula: C32H56N2O3 MolecularWeight: 516.79864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=CC(=C1CCC=O)C(CN(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=CC(=C1CCC=O)C(CN(C)C)C(=O)O

InChI

InChI=1S/C32H56N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-33-31-24-20-22-28(29(31)23-21-26-35)30(32(36)37)27-34(2)3/h20,22,24,26,30,33H,4-19,21,23,25,27H2,1-3H3,(H,36,37)