2-(12-oxidanyldodecanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(12-oxidanyldodecanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(12-hydroxydodecanoylamino)-3-phenyl-propanoic acid CAS Name: 2-[(12-hydroxy-1-oxododecyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-(12-hydroxydodecanoylamino)-3-phenylpropanoic acid Traditional Name: 2-(12-hydroxydodecanoylamino)-3-phenyl-propionic acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCCCCCCCCCO

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCCCCCCCCCO

InChI

InChI=1S/C21H33NO4/c23-16-12-7-5-3-1-2-4-6-11-15-20(24)22-19(21(25)26)17-18-13-9-8-10-14-18/h8-10,13-14,19,23H,1-7,11-12,15-17H2,(H,22,24)(H,25,26)