3-[(3-ethoxy-4-methoxy-phenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid

Systemtic Name: 3-[(3-ethoxy-4-methoxy-phenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid Openeye Name: 3-[3-ethoxy-N-[(3-fluorophenyl)methyl]-4-methoxy-anilino]benzoic acid CAS Name: 3-[3-ethoxy-N-[(3-fluorophenyl)methyl]-4-methoxyanilino]benzoic acid IUPAC Name: 3-[3-ethoxy-N-[(3-fluorophenyl)methyl]-4-methoxyanilino]benzoic acid Traditional Name: 3-(3-ethoxy-N-(3-fluorobenzyl)-4-methoxy-anilino)benzoic acid Formula: C23H22FNO4 MolecularWeight: 395.423483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N(CC2=CC(=CC=C2)F)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)N(CC2=CC(=CC=C2)F)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C23H22FNO4/c1-3-29-22-14-20(10-11-21(22)28-2)25(15-16-6-4-8-18(24)12-16)19-9-5-7-17(13-19)23(26)27/h4-14H,3,15H2,1-2H3,(H,26,27)