3-methyl-6-oxidanyl-2-phenylazanyl-octadecanoic acid

Systemtic Name: 3-methyl-6-oxidanyl-2-phenylazanyl-octadecanoic acid Openeye Name: 2-anilino-6-hydroxy-3-methyl-octadecanoic acid CAS Name: 2-anilino-6-hydroxy-3-methyloctadecanoic acid IUPAC Name: 2-anilino-6-hydroxy-3-methyloctadecanoic acid Traditional Name: 2-anilino-6-hydroxy-3-methyl-stearic acid Formula: C25H43NO3 MolecularWeight: 405.61382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC(C)C(C(=O)O)NC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCC(CCC(C)C(C(=O)O)NC1=CC=CC=C1)O

InChI

InChI=1S/C25H43NO3/c1-3-4-5-6-7-8-9-10-11-15-18-23(27)20-19-21(2)24(25(28)29)26-22-16-13-12-14-17-22/h12-14,16-17,21,23-24,26-27H,3-11,15,18-20H2,1-2H3,(H,28,29)