ethyl 4-[2,5-diphenyl-3-(pyridin-3-yliminomethyl)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2,5-diphenyl-3-(pyridin-3-yliminomethyl)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2,5-diphenyl-3-(3-pyridyliminomethyl)pyrrol-1-yl]benzoate CAS Name: 4-[2,5-diphenyl-3-(3-pyridinyliminomethyl)-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,5-diphenyl-3-(pyridin-3-yliminomethyl)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diphenyl-3-(3-pyridyliminomethyl)pyrrol-1-yl]benzoic acid ethyl ester Formula: C31H25N3O2 MolecularWeight: 471.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=NC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=NC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25N3O2/c1-2-36-31(35)25-15-17-28(18-16-25)34-29(23-10-5-3-6-11-23)20-26(21-33-27-14-9-19-32-22-27)30(34)24-12-7-4-8-13-24/h3-22H,2H2,1H3