tert-butyl 4-[3-[4-cyano-5-(dimethylaminomethylideneamino)-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-cyano-5-(dimethylaminomethylideneamino)-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-cyano-5-(dimethylaminomethyleneamino)-2-methoxy-phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[3-[4-cyano-5-(dimethylaminomethylideneamino)-2-methoxyphenoxy]-2-hydroxypropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-cyano-5-(dimethylaminomethylideneamino)-2-methoxyphenoxy]-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-cyano-5-(dimethylaminomethyleneamino)-2-methoxy-phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H35N5O5 MolecularWeight: 461.5545

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(COC2=C(C=C(C(=C2)N=CN(C)C)C#N)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(COC2=C(C=C(C(=C2)N=CN(C)C)C#N)OC)O

InChI

InChI=1S/C23H35N5O5/c1-23(2,3)33-22(30)28-9-7-27(8-10-28)14-18(29)15-32-21-12-19(25-16-26(4)5)17(13-24)11-20(21)31-6/h11-12,16,18,29H,7-10,14-15H2,1-6H3