18-azanyl-5-(3,5-dimethylphenyl)octadecanoic acid

Systemtic Name: 18-azanyl-5-(3,5-dimethylphenyl)octadecanoic acid Openeye Name: 18-amino-5-(3,5-dimethylphenyl)octadecanoic acid CAS Name: 18-amino-5-(3,5-dimethylphenyl)octadecanoic acid IUPAC Name: 18-amino-5-(3,5-dimethylphenyl)octadecanoic acid Traditional Name: 18-amino-5-(3,5-dimethylphenyl)stearic acid Formula: C26H45NO2 MolecularWeight: 403.641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CCCCCCCCCCCCCN)CCCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CCCCCCCCCCCCCN)CCCC(=O)O)C

InChI

InChI=1S/C26H45NO2/c1-22-19-23(2)21-25(20-22)24(16-14-17-26(28)29)15-12-10-8-6-4-3-5-7-9-11-13-18-27/h19-21,24H,3-18,27H2,1-2H3,(H,28,29)