ethyl 6,7-dicyano-2,2-dimethyl-4-[(N-phenyl-C-propan-2-yloxy-carbonimidoyl)amino]-3,7a-dihydro-1-benzofuran-3a-carboxylate

Systemtic Name: ethyl 6,7-dicyano-2,2-dimethyl-4-[(N-phenyl-C-propan-2-yloxy-carbonimidoyl)amino]-3,7a-dihydro-1-benzofuran-3a-carboxylate Openeye Name: ethyl 6,7-dicyano-4-[(C-isopropoxy-N-phenyl-carbonimidoyl)amino]-2,2-dimethyl-3,7a-dihydrobenzofuran-3a-carboxylate CAS Name: 6,7-dicyano-2,2-dimethyl-4-[[phenylimino(propan-2-yloxy)methyl]amino]-3,7a-dihydrobenzofuran-3a-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dicyano-2,2-dimethyl-4-[(N-phenyl-C-propan-2-yloxycarbonimidoyl)amino]-3,7a-dihydro-1-benzofuran-3a-carboxylate Traditional Name: 6,7-dicyano-4-[(C-isopropoxy-N-phenyl-carbonimidoyl)amino]-2,2-dimethyl-3,7a-dihydrobenzofuran-3a-carboxylic acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC(OC1C(=C(C=C2NC(=NC3=CC=CC=C3)OC(C)C)C#N)C#N)(C)C

Isomeric SMILES

CCOC(=O)C12CC(OC1C(=C(C=C2NC(=NC3=CC=CC=C3)OC(C)C)C#N)C#N)(C)C

InChI

InChI=1S/C25H28N4O4/c1-6-31-22(30)25-15-24(4,5)33-21(25)19(14-27)17(13-26)12-20(25)29-23(32-16(2)3)28-18-10-8-7-9-11-18/h7-12,16,21H,6,15H2,1-5H3,(H,28,29)