2-[4-[(3-chloranyl-4-nonyl-phenyl)methylamino]but-2-ynyl]-2-methyl-propanedioic acid

Systemtic Name: 2-[4-[(3-chloranyl-4-nonyl-phenyl)methylamino]but-2-ynyl]-2-methyl-propanedioic acid Openeye Name: 2-[4-[(3-chloro-4-nonyl-phenyl)methylamino]but-2-ynyl]-2-methyl-propanedioic acid CAS Name: 2-[4-[(3-chloro-4-nonylphenyl)methylamino]but-2-ynyl]-2-methylpropanedioic acid IUPAC Name: 2-[4-[(3-chloro-4-nonylphenyl)methylamino]but-2-ynyl]-2-methylpropanedioic acid Traditional Name: 2-[4-[(3-chloro-4-nonyl-benzyl)amino]but-2-ynyl]-2-methyl-malonic acid Formula: C24H34ClNO4 MolecularWeight: 435.98406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34ClNO4/c1-3-4-5-6-7-8-9-12-20-14-13-19(17-21(20)25)18-26-16-11-10-15-24(2,22(27)28)23(29)30/h13-14,17,26H,3-9,12,15-16,18H2,1-2H3,(H,27,28)(H,29,30)