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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1-pyrrolyl)propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)propionic acid Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(CC(=O)O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC=C(N1C(CC(=O)O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H17NO4/c1-10-3-4-11(2)17(10)13(8-16(18)19)12-5-6-14-15(7-12)21-9-20-14/h3-7,13H,8-9H2,1-2H3,(H,18,19)