4-(hexadecylamino)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(hexadecylamino)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(hexadecylamino)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-(hexadecylamino)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(hexadecylamino)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(cetylamino)-1-methyl-pyrrole-2-carboxylic acid Formula: C22H40N2O2 MolecularWeight: 364.5652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CN(C(=C1)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C22H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-20-18-21(22(25)26)24(2)19-20/h18-19,23H,3-17H2,1-2H3,(H,25,26)