2-methoxyethyl 1-[4-ethoxycarbonyl-2-(piperazin-1-ylmethyl)phenyl]benzimidazole-5-carboxylate

Systemtic Name: 2-methoxyethyl 1-[4-ethoxycarbonyl-2-(piperazin-1-ylmethyl)phenyl]benzimidazole-5-carboxylate Openeye Name: 2-methoxyethyl 1-[4-ethoxycarbonyl-2-(piperazin-1-ylmethyl)phenyl]benzimidazole-5-carboxylate CAS Name: 1-[4-ethoxycarbonyl-2-(1-piperazinylmethyl)phenyl]-5-benzimidazolecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 1-[4-ethoxycarbonyl-2-(piperazin-1-ylmethyl)phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[4-carbethoxy-2-(piperazinomethyl)phenyl]benzimidazole-5-carboxylic acid 2-methoxyethyl ester Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)OCCOC)CN4CCNCC4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)OCCOC)CN4CCNCC4

InChI

InChI=1S/C25H30N4O5/c1-3-33-24(30)18-4-6-22(20(14-18)16-28-10-8-26-9-11-28)29-17-27-21-15-19(5-7-23(21)29)25(31)34-13-12-32-2/h4-7,14-15,17,26H,3,8-13,16H2,1-2H3