tert-butyl 3-[(6Z)-2-azanyl-3-(methoxymethyl)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6Z)-2-azanyl-3-(methoxymethyl)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6Z)-2-amino-3-(methoxymethyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[(6Z)-2-amino-3-(methoxymethyl)-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6Z)-2-amino-3-(methoxymethyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[(6Z)-2-amino-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-(methoxymethyl)-1H-pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=C3C=CC=CC3=O)NC(=C2COC)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=C/C(=C/3\C=CC=CC3=O)/NC(=C2COC)N

InChI

InChI=1S/C23H31N3O4/c1-23(2,3)30-22(28)26-11-7-8-15(13-26)17-12-19(16-9-5-6-10-20(16)27)25-21(24)18(17)14-29-4/h5-6,9-10,12,15,25H,7-8,11,13-14,24H2,1-4H3/b19-16-