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

Systemtic Name: 3-[[3-(2-cyclopropylethoxy)-4-methoxy-phenyl]-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-(2-cyclopropylethoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-(2-cyclopropylethoxy)-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-(2-cyclopropylethoxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-(2-cyclopropylethoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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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)OCCC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OCCC4CC4

InChI

InChI=1S/C25H26N2O4/c1-30-23-10-9-22(15-24(23)31-13-11-18-7-8-18)27(17-19-4-3-12-26-16-19)21-6-2-5-20(14-21)25(28)29/h2-6,9-10,12,14-16,18H,7-8,11,13,17H2,1H3,(H,28,29)