3-azanylidene-2-(7-tert-butyl-3-methyl-benzimidazol-5-yl)-6-ethoxy-1-(2-oxidanylideneethyl)-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-2-(7-tert-butyl-3-methyl-benzimidazol-5-yl)-6-ethoxy-1-(2-oxidanylideneethyl)-1H-isoindole-5-carboxylic acid Openeye Name: 2-(7-tert-butyl-3-methyl-benzimidazol-5-yl)-6-ethoxy-3-imino-1-(2-oxoethyl)isoindoline-5-carboxylic acid CAS Name: 2-(7-tert-butyl-3-methyl-5-benzimidazolyl)-6-ethoxy-3-imino-1-(2-oxoethyl)-1H-isoindole-5-carboxylic acid IUPAC Name: 2-(7-tert-butyl-3-methylbenzimidazol-5-yl)-6-ethoxy-3-imino-1-(2-oxoethyl)-1H-isoindole-5-carboxylic acid Traditional Name: 2-(7-tert-butyl-3-methyl-benzimidazol-5-yl)-6-ethoxy-3-imino-1-(2-ketoethyl)isoindoline-5-carboxylic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(N(C2=N)C3=CC4=C(C(=C3)C(C)(C)C)N=CN4C)CC=O)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(N(C2=N)C3=CC4=C(C(=C3)C(C)(C)C)N=CN4C)CC=O)C(=O)O

InChI

InChI=1S/C25H28N4O4/c1-6-33-21-12-15-16(11-17(21)24(31)32)23(26)29(19(15)7-8-30)14-9-18(25(2,3)4)22-20(10-14)28(5)13-27-22/h8-13,19,26H,6-7H2,1-5H3,(H,31,32)