tert-butyl (6E)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-piperidin-3-yl-1H-pyridine-3-carboxylate

Systemtic Name: tert-butyl (6E)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-piperidin-3-yl-1H-pyridine-3-carboxylate Openeye Name: tert-butyl (6E)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-piperidyl)-1H-pyridine-3-carboxylate CAS Name: (6E)-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-(3-piperidinyl)-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6E)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-piperidin-3-yl-1H-pyridine-3-carboxylate Traditional Name: (6E)-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-(3-piperidyl)-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CNC(=C2C=CC=CC2=O)C=C1C3CCCNC3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN/C(=C/2\C=CC=CC2=O)/C=C1C3CCCNC3

InChI

InChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)17-13-23-18(15-8-4-5-9-19(15)24)11-16(17)14-7-6-10-22-12-14/h4-5,8-9,11,13-14,22-23H,6-7,10,12H2,1-3H3/b18-15+