decyl 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate

Systemtic Name: decyl 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate Openeye Name: decyl 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate CAS Name: 4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrimidin-5-yl]benzoic acid decyl ester IUPAC Name: decyl 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate Traditional Name: 4-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoic acid decyl ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CNC(=C3C=CC(=O)C=C3)N=C2

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CNC(=C3C=CC(=O)C=C3)N=C2

InChI

InChI=1S/C27H32N2O3/c1-2-3-4-5-6-7-8-9-18-32-27(31)23-12-10-21(11-13-23)24-19-28-26(29-20-24)22-14-16-25(30)17-15-22/h10-17,19-20,28H,2-9,18H2,1H3