2-[[4-(2,2-dicyanoethenyl)-2,5-dimethoxy-phenyl]-[2-(phenylcarbonyloxy)ethyl]amino]ethyl benzoate

Systemtic Name: 2-[[4-(2,2-dicyanoethenyl)-2,5-dimethoxy-phenyl]-[2-(phenylcarbonyloxy)ethyl]amino]ethyl benzoate Openeye Name: 2-[N-(2-benzoyloxyethyl)-4-(2,2-dicyanovinyl)-2,5-dimethoxy-anilino]ethyl benzoate CAS Name: benzoic acid 2-[N-(2-benzoyloxyethyl)-4-(2,2-dicyanoethenyl)-2,5-dimethoxyanilino]ethyl ester IUPAC Name: 2-[N-(2-benzoyloxyethyl)-4-(2,2-dicyanoethenyl)-2,5-dimethoxyanilino]ethyl benzoate Traditional Name: benzoic acid 2-[N-(2-benzoyloxyethyl)-4-(2,2-dicyanovinyl)-2,5-dimethoxy-anilino]ethyl ester Formula: C30H27N3O6 MolecularWeight: 525.55188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C#N)OC)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)C#N)OC)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H27N3O6/c1-36-27-19-26(28(37-2)18-25(27)17-22(20-31)21-32)33(13-15-38-29(34)23-9-5-3-6-10-23)14-16-39-30(35)24-11-7-4-8-12-24/h3-12,17-19H,13-16H2,1-2H3