3-naphthalen-1-yl-2-(octanoylamino)propanoic acid

Systemtic Name: 3-naphthalen-1-yl-2-(octanoylamino)propanoic acid Openeye Name: 3-(1-naphthyl)-2-(octanoylamino)propanoic acid CAS Name: 3-(1-naphthalenyl)-2-(1-oxooctylamino)propanoic acid IUPAC Name: 3-naphthalen-1-yl-2-(octanoylamino)propanoic acid Traditional Name: 2-(caprylylamino)-3-(1-naphthyl)propionic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C21H27NO3/c1-2-3-4-5-6-14-20(23)22-19(21(24)25)15-17-12-9-11-16-10-7-8-13-18(16)17/h7-13,19H,2-6,14-15H2,1H3,(H,22,23)(H,24,25)