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

Systemtic Name: 3-[(3-cycloheptyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-(cycloheptoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-cycloheptyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-cycloheptyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-(cycloheptoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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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)OC4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCCCC4

InChI

InChI=1S/C27H30N2O4/c1-32-25-14-13-23(17-26(25)33-24-11-4-2-3-5-12-24)29(19-20-8-7-15-28-18-20)22-10-6-9-21(16-22)27(30)31/h6-10,13-18,24H,2-5,11-12,19H2,1H3,(H,30,31)