4-[(4-decanoylphenyl)methylamino]-2-oxidanyl-butanoic acid

Systemtic Name: 4-[(4-decanoylphenyl)methylamino]-2-oxidanyl-butanoic acid Openeye Name: 4-[(4-decanoylphenyl)methylamino]-2-hydroxy-butanoic acid CAS Name: 2-hydroxy-4-[[4-(1-oxodecyl)phenyl]methylamino]butanoic acid IUPAC Name: 4-[(4-decanoylphenyl)methylamino]-2-hydroxybutanoic acid Traditional Name: 4-[(4-caprylbenzyl)amino]-2-hydroxy-butyric acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=CC=C(C=C1)CNCCC(C(=O)O)O

Isomeric SMILES

CCCCCCCCCC(=O)C1=CC=C(C=C1)CNCCC(C(=O)O)O

InChI

InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-19(23)18-12-10-17(11-13-18)16-22-15-14-20(24)21(25)26/h10-13,20,22,24H,2-9,14-16H2,1H3,(H,25,26)