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

Systemtic Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[3-ethoxy-4-(2-thenyloxy)benzyl]amino]methyl]benzoic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNCC2=CC=C(C=C2)C(=O)O)OCC3=CC=CS3

InChI

InChI=1S/C22H23NO4S/c1-2-26-21-12-17(7-10-20(21)27-15-19-4-3-11-28-19)14-23-13-16-5-8-18(9-6-16)22(24)25/h3-12,23H,2,13-15H2,1H3,(H,24,25)