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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(NC(=C2C=CC=CC2=O)C=C1C3CCCN(C3)C(=O)OC(C)(C)C)N)O

Isomeric SMILES

CC(C1=C(N/C(=C\2/C=CC=CC2=O)/C=C1C3CCCN(C3)C(=O)OC(C)(C)C)N)O

InChI

InChI=1S/C23H31N3O4/c1-14(27)20-17(12-18(25-21(20)24)16-9-5-6-10-19(16)28)15-8-7-11-26(13-15)22(29)30-23(2,3)4/h5-6,9-10,12,14-15,25,27H,7-8,11,13,24H2,1-4H3/b18-16-