(6Z)-2-azanyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-pyridine-3-carboxylic acid

Systemtic Name: (6Z)-2-azanyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-pyridine-3-carboxylic acid Openeye Name: (6Z)-2-amino-4-(1-benzyloxycarbonyl-3-piperidyl)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboxylic acid CAS Name: (6Z)-2-amino-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-(1-phenylmethoxycarbonyl-3-piperidinyl)-1H-pyridine-3-carboxylic acid IUPAC Name: (6Z)-2-amino-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-pyridine-3-carboxylic acid Traditional Name: (6Z)-2-amino-4-(1-carbobenzoxy-3-piperidyl)-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboxylic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=CC(=C4C=CC=CC4=O)NC(=C3C(=O)O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=C/C(=C/4\C=CC=CC4=O)/NC(=C3C(=O)O)N

InChI

InChI=1S/C25H25N3O5/c26-23-22(24(30)31)19(13-20(27-23)18-10-4-5-11-21(18)29)17-9-6-12-28(14-17)25(32)33-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,13,17,27H,6,9,12,14-15,26H2,(H,30,31)/b20-18-