tert-butyl 3-[(4-aminocarbonyl-3-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: tert-butyl 3-[(4-aminocarbonyl-3-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: tert-butyl 3-[4-carbamoyl-3-methoxy-N-(3-pyridylmethyl)anilino]benzoate CAS Name: 3-[4-carbamoyl-3-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-carbamoyl-3-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoate Traditional Name: 3-[4-carbamoyl-3-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid tert-butyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4/c1-25(2,3)32-24(30)18-8-5-9-19(13-18)28(16-17-7-6-12-27-15-17)20-10-11-21(23(26)29)22(14-20)31-4/h5-15H,16H2,1-4H3,(H2,26,29)