3-[[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[2-(cyclopropylmethoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[2-(cyclopropylmethoxy)-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[2-(cyclopropylmethoxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[2-(cyclopropylmethoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OCC4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OCC4CC4

InChI

InChI=1S/C24H24N2O4/c1-29-21-9-10-22(23(13-21)30-16-17-7-8-17)26(15-18-4-3-11-25-14-18)20-6-2-5-19(12-20)24(27)28/h2-6,9-14,17H,7-8,15-16H2,1H3,(H,27,28)