3-azanyl-4-(nonadecan-2-ylamino)benzoic acid hydrochloride

Systemtic Name: 3-azanyl-4-(nonadecan-2-ylamino)benzoic acid hydrochloride Openeye Name: 3-amino-4-(1-methyloctadecylamino)benzoic acid hydrochloride CAS Name: 3-amino-4-(nonadecan-2-ylamino)benzoic acid hydrochloride IUPAC Name: 3-amino-4-(nonadecan-2-ylamino)benzoic acid hydrochloride Traditional Name: 3-amino-4-(1-methyloctadecylamino)benzoic acid hydrochloride Formula: C26H47ClN2O2 MolecularWeight: 455.11658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)C(=O)O)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)C(=O)O)N.Cl

InChI

InChI=1S/C26H46N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)28-25-20-19-23(26(29)30)21-24(25)27;/h19-22,28H,3-18,27H2,1-2H3,(H,29,30);1H