ethyl 3-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 3-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 3-[4-methoxy-3-[2-(2-pyridyl)ethoxy]-N-(3-pyridylmethyl)anilino]benzoate CAS Name: 3-[4-methoxy-3-[2-(2-pyridinyl)ethoxy]-N-(3-pyridinylmethyl)anilino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-methoxy-3-(2-pyridin-2-ylethoxy)-N-(pyridin-3-ylmethyl)anilino]benzoate Traditional Name: 3-[4-methoxy-3-[2-(2-pyridyl)ethoxy]-N-(3-pyridylmethyl)anilino]benzoic acid ethyl ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OCCC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OCCC4=CC=CC=N4

InChI

InChI=1S/C29H29N3O4/c1-3-35-29(33)23-9-6-11-25(18-23)32(21-22-8-7-15-30-20-22)26-12-13-27(34-2)28(19-26)36-17-14-24-10-4-5-16-31-24/h4-13,15-16,18-20H,3,14,17,21H2,1-2H3