(3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoate Openeye Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoate CAS Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoate IUPAC Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propanoate Traditional Name: (3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)propionate Formula: C18H14NO4- MolecularWeight: 308.30806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C(CC(=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

C1OC2=CC=CC(=C2O1)[C@@H](CC(=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C18H15NO4/c20-17(21)8-13(12-5-3-7-16-18(12)23-10-22-16)14-9-19-15-6-2-1-4-11(14)15/h1-7,9,13,19H,8,10H2,(H,20,21)/p-1/t13-/m1/s1