3-naphthalen-2-yl-2-(2-oxidanylidene-3-propyl-piperazin-1-yl)propanoic acid

Systemtic Name: 3-naphthalen-2-yl-2-(2-oxidanylidene-3-propyl-piperazin-1-yl)propanoic acid Openeye Name: 3-(2-naphthyl)-2-(2-oxo-3-propyl-piperazin-1-yl)propanoic acid CAS Name: 3-(2-naphthalenyl)-2-(2-oxo-3-propyl-1-piperazinyl)propanoic acid IUPAC Name: 3-naphthalen-2-yl-2-(2-oxo-3-propylpiperazin-1-yl)propanoic acid Traditional Name: 2-(2-keto-3-propyl-piperazino)-3-(2-naphthyl)propionic acid Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(CCN1)C(CC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CCCC1C(=O)N(CCN1)C(CC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C20H24N2O3/c1-2-5-17-19(23)22(11-10-21-17)18(20(24)25)13-14-8-9-15-6-3-4-7-16(15)12-14/h3-4,6-9,12,17-18,21H,2,5,10-11,13H2,1H3,(H,24,25)