2-[6-[2-[(phenylmethyl)amino]ethyl]-1,3-benzodioxol-5-yl]ethanoic acid

Systemtic Name: 2-[6-[2-[(phenylmethyl)amino]ethyl]-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-[6-[2-(benzylamino)ethyl]-1,3-benzodioxol-5-yl]acetic acid CAS Name: 2-[6-[2-[(phenylmethyl)amino]ethyl]-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-[6-[2-(benzylamino)ethyl]-1,3-benzodioxol-5-yl]acetic acid Traditional Name: 2-[6-[2-(benzylamino)ethyl]-1,3-benzodioxol-5-yl]acetic acid Formula: C18H19NO4 MolecularWeight: 313.34776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CCNCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CCNCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C18H19NO4/c20-18(21)10-15-9-17-16(22-12-23-17)8-14(15)6-7-19-11-13-4-2-1-3-5-13/h1-5,8-9,19H,6-7,10-12H2,(H,20,21)