methyl 4-(2-azanyl-4,4-dibutoxy-1,5-dicyano-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-4,4-dibutoxy-1,5-dicyano-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoate Openeye Name: methyl 4-(2-amino-4,4-dibutoxy-1,5-dicyano-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoate CAS Name: 4-(2-amino-4,4-dibutoxy-1,5-dicyano-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-4,4-dibutoxy-1,5-dicyano-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoate Traditional Name: 4-(2-amino-4,4-dibutoxy-1,5-dicyano-3-azabicyclo[3.1.0]hex-2-en-6-yl)benzoic acid methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)C(=O)OC)C#N)OCCCC

Isomeric SMILES

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=C(C=C3)C(=O)OC)C#N)OCCCC

InChI

InChI=1S/C23H28N4O4/c1-4-6-12-30-23(31-13-7-5-2)22(15-25)18(21(22,14-24)20(26)27-23)16-8-10-17(11-9-16)19(28)29-3/h8-11,18H,4-7,12-13H2,1-3H3,(H2,26,27)