tert-butyl 4-cyano-4-[(3-oxidanyl-2-oxidanylidene-3-phenyl-indol-1-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-cyano-4-[(3-oxidanyl-2-oxidanylidene-3-phenyl-indol-1-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-cyano-4-[(3-hydroxy-2-oxo-3-phenyl-indolin-1-yl)methyl]piperidine-1-carboxylate CAS Name: 4-cyano-4-[(3-hydroxy-2-oxo-3-phenyl-1-indolyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-4-[(3-hydroxy-2-oxo-3-phenylindol-1-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-cyano-4-[(3-hydroxy-2-keto-3-phenyl-indolin-1-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CN2C3=CC=CC=C3C(C2=O)(C4=CC=CC=C4)O)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN2C3=CC=CC=C3C(C2=O)(C4=CC=CC=C4)O)C#N

InChI

InChI=1S/C26H29N3O4/c1-24(2,3)33-23(31)28-15-13-25(17-27,14-16-28)18-29-21-12-8-7-11-20(21)26(32,22(29)30)19-9-5-4-6-10-19/h4-12,32H,13-16,18H2,1-3H3