3-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-benzamido-propanoic acid

Systemtic Name: 3-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-benzamido-propanoic acid Openeye Name: 3-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-benzamido-propanoic acid CAS Name: 3-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-benzamidopropanoic acid IUPAC Name: 3-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-benzamidopropanoic acid Traditional Name: 3-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-2-benzamido-propionic acid Formula: C17H21NO5 MolecularWeight: 319.35234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1CC(C(=O)O)NC(=O)C3=CC=CC=C3)OCO2

Isomeric SMILES

C1CC2C(CC1CC(C(=O)O)NC(=O)C3=CC=CC=C3)OCO2

InChI

InChI=1S/C17H21NO5/c19-16(12-4-2-1-3-5-12)18-13(17(20)21)8-11-6-7-14-15(9-11)23-10-22-14/h1-5,11,13-15H,6-10H2,(H,18,19)(H,20,21)