tert-butyl 4-[4-[2-azanyl-1-[(5-cyano-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-azanyl-1-[(5-cyano-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-amino-1-(5-cyano-2-methyl-anilino)-2-oxo-ethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[2-amino-1-(5-cyano-2-methylanilino)-2-oxoethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-amino-1-(5-cyano-2-methylanilino)-2-oxoethyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[2-amino-1-(5-cyano-2-methyl-anilino)-2-keto-ethyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)NC(C2=CC=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)NC(C2=CC=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N

InChI

InChI=1S/C26H32N4O4/c1-17-5-6-18(16-27)15-22(17)29-23(24(28)31)19-7-9-20(10-8-19)33-21-11-13-30(14-12-21)25(32)34-26(2,3)4/h5-10,15,21,23,29H,11-14H2,1-4H3,(H2,28,31)