2-methyl-2-[4-[(4-nonylphenyl)methylamino]but-2-ynyl]propanedioic acid hydrochloride

Systemtic Name: 2-methyl-2-[4-[(4-nonylphenyl)methylamino]but-2-ynyl]propanedioic acid hydrochloride Openeye Name: 2-methyl-2-[4-[(4-nonylphenyl)methylamino]but-2-ynyl]propanedioic acid hydrochloride CAS Name: 2-methyl-2-[4-[(4-nonylphenyl)methylamino]but-2-ynyl]propanedioic acid hydrochloride IUPAC Name: 2-methyl-2-[4-[(4-nonylphenyl)methylamino]but-2-ynyl]propanedioic acid hydrochloride Traditional Name: 2-methyl-2-[4-[(4-nonylbenzyl)amino]but-2-ynyl]malonic acid hydrochloride Formula: C24H36ClNO4 MolecularWeight: 437.99994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CNCC#CCC(C)(C(=O)O)C(=O)O.Cl

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CNCC#CCC(C)(C(=O)O)C(=O)O.Cl

InChI

InChI=1S/C24H35NO4.ClH/c1-3-4-5-6-7-8-9-12-20-13-15-21(16-14-20)19-25-18-11-10-17-24(2,22(26)27)23(28)29;/h13-16,25H,3-9,12,17-19H2,1-2H3,(H,26,27)(H,28,29);1H