ethyl 4-(4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl)benzoate

Systemtic Name: ethyl 4-(4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl)benzoate Openeye Name: ethyl 4-(4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl)benzoate CAS Name: 4-(4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl)benzoate Traditional Name: 4-(4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl)benzoic acid ethyl ester Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2N=C(C3N2C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2N=C(C3N2C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N2O2/c1-2-29-25(28)20-15-13-19(14-16-20)24-26-21(17-9-5-3-6-10-17)23-22(27(23)24)18-11-7-4-8-12-18/h3-16,22-24H,2H2,1H3