2-azanyl-3-dodecyl-5-methyl-benzoic acid

Systemtic Name: 2-azanyl-3-dodecyl-5-methyl-benzoic acid Openeye Name: 2-amino-3-dodecyl-5-methyl-benzoic acid CAS Name: 2-amino-3-dodecyl-5-methylbenzoic acid IUPAC Name: 2-amino-3-dodecyl-5-methylbenzoic acid Traditional Name: 2-amino-3-lauryl-5-methyl-benzoic acid Formula: C20H33NO2 MolecularWeight: 319.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC(=C1)C)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC(=C1)C)C(=O)O)N

InChI

InChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-16(2)15-18(19(17)21)20(22)23/h14-15H,3-13,21H2,1-2H3,(H,22,23)