ethyl 2-benzamido-6-(3-hexyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-(4-methylphenyl)-1H-pyrazine-3-carboxylate

Systemtic Name: ethyl 2-benzamido-6-(3-hexyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-(4-methylphenyl)-1H-pyrazine-3-carboxylate Openeye Name: ethyl 2-benzamido-6-(3-hexyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-(p-tolyl)-1H-pyrazine-3-carboxylate CAS Name: 2-benzamido-6-(3-hexyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-(4-methylphenyl)-1H-pyrazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-6-(3-hexyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-(4-methylphenyl)-1H-pyrazine-3-carboxylate Traditional Name: 2-benzamido-6-(3-hexyl-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-5-(p-tolyl)-1H-pyrazine-3-carboxylic acid ethyl ester Formula: C33H35N3O5 MolecularWeight: 553.6481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C2C(=NC(=C(N2)NC(=O)C3=CC=CC=C3)C(=O)OCC)C4=CC=C(C=C4)C)C(=O)C=C1O

Isomeric SMILES

CCCCCCC1=CC(=C2C(=NC(=C(N2)NC(=O)C3=CC=CC=C3)C(=O)OCC)C4=CC=C(C=C4)C)C(=O)C=C1O

InChI

InChI=1S/C33H35N3O5/c1-4-6-7-9-14-24-19-25(27(38)20-26(24)37)29-28(22-17-15-21(3)16-18-22)34-30(33(40)41-5-2)31(35-29)36-32(39)23-12-10-8-11-13-23/h8,10-13,15-20,35,37H,4-7,9,14H2,1-3H3,(H,36,39)