3-[[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-indan-2-yloxy-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-indan-2-yloxy-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CC5=CC=CC=C5C4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CC5=CC=CC=C5C4

InChI

InChI=1S/C29H26N2O4/c1-34-27-12-11-25(17-28(27)35-26-15-21-7-2-3-8-22(21)16-26)31(19-20-6-5-13-30-18-20)24-10-4-9-23(14-24)29(32)33/h2-14,17-18,26H,15-16,19H2,1H3,(H,32,33)