tert-butyl 4-[4-[2-[2-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)-5-cyano-phenoxy]ethylcarbamoyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-[2-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)-5-cyano-phenoxy]ethylcarbamoyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-[2-(1-carbamoylvinyl)-5-cyano-phenoxy]ethylcarbamoyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[2-[2-(3-amino-3-oxoprop-1-en-2-yl)-5-cyanophenoxy]ethylamino]-oxomethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-[2-(3-amino-3-oxoprop-1-en-2-yl)-5-cyanophenoxy]ethylcarbamoyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[2-[2-(1-carbamoylvinyl)-5-cyano-phenoxy]ethylcarbamoyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H34N4O6 MolecularWeight: 534.60346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCOC3=C(C=CC(=C3)C#N)C(=C)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCOC3=C(C=CC(=C3)C#N)C(=C)C(=O)N

InChI

InChI=1S/C29H34N4O6/c1-19(26(31)34)24-10-5-20(18-30)17-25(24)37-16-13-32-27(35)21-6-8-22(9-7-21)38-23-11-14-33(15-12-23)28(36)39-29(2,3)4/h5-10,17,23H,1,11-16H2,2-4H3,(H2,31,34)(H,32,35)