3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoic acid

Systemtic Name: 3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoic acid Openeye Name: 3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoic acid CAS Name: 3-methoxy-4-(1-pyrrolidinylmethyl)benzoic acid IUPAC Name: 3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoic acid Traditional Name: 3-methoxy-4-(pyrrolidinomethyl)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2CCCC2

InChI

InChI=1S/C13H17NO3/c1-17-12-8-10(13(15)16)4-5-11(12)9-14-6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16)