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

Systemtic Name: 3-naphthalen-2-yl-2-(2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl)propanoic acid Openeye Name: 2-(3-allyl-2-oxo-piperazin-1-yl)-3-(2-naphthyl)propanoic acid CAS Name: 3-(2-naphthalenyl)-2-(2-oxo-3-prop-2-enyl-1-piperazinyl)propanoic acid IUPAC Name: 3-naphthalen-2-yl-2-(2-oxo-3-prop-2-enylpiperazin-1-yl)propanoic acid Traditional Name: 2-(3-allyl-2-keto-piperazino)-3-(2-naphthyl)propionic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C(=O)N(CCN1)C(CC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C=CCC1C(=O)N(CCN1)C(CC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C20H22N2O3/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/h2-4,6-9,12,17-18,21H,1,5,10-11,13H2,(H,24,25)