2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid CAS Name: 2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid Formula: C17H15NO5 MolecularWeight: 313.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H15NO5/c19-16(12-5-1-2-6-13(12)17(20)21)18-9-11-10-22-14-7-3-4-8-15(14)23-11/h1-8,11H,9-10H2,(H,18,19)(H,20,21)/t11-/m1/s1