tert-butyl 4-[4-[2-azanyl-1-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-azanyl-1-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-amino-1-(3-cyanoanilino)-2-oxo-ethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[2-amino-1-(3-cyanoanilino)-2-oxoethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-amino-1-(3-cyanoanilino)-2-oxoethyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[2-amino-1-(3-cyanoanilino)-2-keto-ethyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(C(=O)N)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(C(=O)N)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H30N4O4/c1-25(2,3)33-24(31)29-13-11-21(12-14-29)32-20-9-7-18(8-10-20)22(23(27)30)28-19-6-4-5-17(15-19)16-26/h4-10,15,21-22,28H,11-14H2,1-3H3,(H2,27,30)