tert-butyl 3-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidene-2-phenylmethoxy-cyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidene-2-phenylmethoxy-cyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6E)-2-amino-6-(2-benzyloxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3-cyano-1H-pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[(6E)-2-amino-3-cyano-6-(6-oxo-2-phenylmethoxy-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6E)-2-amino-3-cyano-6-(6-oxo-2-phenylmethoxycyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[(6E)-2-amino-6-(2-benzoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-cyano-1H-pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C(=O)C=CC=C3OCC4=CC=CC=C4)NC(=C2C#N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4=CC=CC=C4)/NC(=C2C#N)N

InChI

InChI=1S/C29H32N4O4/c1-29(2,3)37-28(35)33-14-8-11-20(17-33)21-15-23(32-27(31)22(21)16-30)26-24(34)12-7-13-25(26)36-18-19-9-5-4-6-10-19/h4-7,9-10,12-13,15,20,32H,8,11,14,17-18,31H2,1-3H3/b26-23-