tert-butyl N-[4-[(5-methoxy-2-pyridin-2-yl-phenyl)amino]-4-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(5-methoxy-2-pyridin-2-yl-phenyl)amino]-4-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[5-methoxy-2-(2-pyridyl)anilino]-1-methyl-3-oxo-propyl]carbamate CAS Name: N-[4-[5-methoxy-2-(2-pyridinyl)anilino]-4-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(5-methoxy-2-pyridin-2-ylanilino)-4-oxobutan-2-yl]carbamate Traditional Name: N-[3-keto-3-[5-methoxy-2-(2-pyridyl)anilino]-1-methyl-propyl]carbamic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=CC(=C1)OC)C2=CC=CC=N2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=C(C=CC(=C1)OC)C2=CC=CC=N2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O4/c1-14(23-20(26)28-21(2,3)4)12-19(25)24-18-13-15(27-5)9-10-16(18)17-8-6-7-11-22-17/h6-11,13-14H,12H2,1-5H3,(H,23,26)(H,24,25)