2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(2-naphthyl)propanoic acid CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(2-naphthyl)propionic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C21H18N2O5/c24-20(25)17(10-13-5-6-14-3-1-2-4-15(14)9-13)23-21(26)22-16-7-8-18-19(11-16)28-12-27-18/h1-9,11,17H,10,12H2,(H,24,25)(H2,22,23,26)