4-[[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[3-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[3-methoxy-4-(2-thenyloxy)benzyl]amino]methyl]benzoic acid Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O)OCC3=CC=CS3

InChI

InChI=1S/C21H21NO4S/c1-25-20-11-16(6-9-19(20)26-14-18-3-2-10-27-18)13-22-12-15-4-7-17(8-5-15)21(23)24/h2-11,22H,12-14H2,1H3,(H,23,24)