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

Systemtic Name: 3-[(3-cyclobutyloxy-4-methoxy-phenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid Openeye Name: 3-[3-(cyclobutoxy)-N-[(3-fluorophenyl)methyl]-4-methoxy-anilino]benzoic acid CAS Name: 3-[3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyanilino]benzoic acid IUPAC Name: 3-[3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyanilino]benzoic acid Traditional Name: 3-[3-(cyclobutoxy)-N-(3-fluorobenzyl)-4-methoxy-anilino]benzoic acid Formula: C25H24FNO4 MolecularWeight: 421.460763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CC(=CC=C2)F)C3=CC=CC(=C3)C(=O)O)OC4CCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CC(=CC=C2)F)C3=CC=CC(=C3)C(=O)O)OC4CCC4

InChI

InChI=1S/C25H24FNO4/c1-30-23-12-11-21(15-24(23)31-22-9-4-10-22)27(16-17-5-2-7-19(26)13-17)20-8-3-6-18(14-20)25(28)29/h2-3,5-8,11-15,22H,4,9-10,16H2,1H3,(H,28,29)