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

Systemtic Name: tert-butyl 4-[4-[2-azanyl-1-[(2-chloranyl-5-cyano-phenyl)amino]-2-oxidanylidene-ethyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-amino-1-(2-chloro-5-cyano-anilino)-2-oxo-ethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[2-amino-1-(2-chloro-5-cyanoanilino)-2-oxoethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-amino-1-(2-chloro-5-cyanoanilino)-2-oxoethyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[2-amino-1-(2-chloro-5-cyano-anilino)-2-keto-ethyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H29ClN4O4 MolecularWeight: 484.97516

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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=C(C=CC(=C3)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O4/c1-25(2,3)34-24(32)30-12-10-19(11-13-30)33-18-7-5-17(6-8-18)22(23(28)31)29-21-14-16(15-27)4-9-20(21)26/h4-9,14,19,22,29H,10-13H2,1-3H3,(H2,28,31)