4-[(4-decanoyl-3-methyl-phenyl)methylamino]butanoic acid

Systemtic Name: 4-[(4-decanoyl-3-methyl-phenyl)methylamino]butanoic acid Openeye Name: 4-[(4-decanoyl-3-methyl-phenyl)methylamino]butanoic acid CAS Name: 4-[[3-methyl-4-(1-oxodecyl)phenyl]methylamino]butanoic acid IUPAC Name: 4-[(4-decanoyl-3-methylphenyl)methylamino]butanoic acid Traditional Name: 4-[(4-capryl-3-methyl-benzyl)amino]butyric acid Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=C(C=C(C=C1)CNCCCC(=O)O)C

Isomeric SMILES

CCCCCCCCCC(=O)C1=C(C=C(C=C1)CNCCCC(=O)O)C

InChI

InChI=1S/C22H35NO3/c1-3-4-5-6-7-8-9-11-21(24)20-14-13-19(16-18(20)2)17-23-15-10-12-22(25)26/h13-14,16,23H,3-12,15,17H2,1-2H3,(H,25,26)