2-[4-[3-[2-(dimethylamino)-5-ethoxycarbonyl-benzimidazol-1-yl]phenyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-[2-(dimethylamino)-5-ethoxycarbonyl-benzimidazol-1-yl]phenyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-[2-(dimethylamino)-5-ethoxycarbonyl-benzimidazol-1-yl]phenyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-[2-(dimethylamino)-5-ethoxycarbonyl-1-benzimidazolyl]phenyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-[2-(dimethylamino)-5-ethoxycarbonylbenzimidazol-1-yl]phenyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-[5-carbethoxy-2-(dimethylamino)benzimidazol-1-yl]phenyl]piperazino]acetic acid Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)N(C)C)C3=CC(=CC=C3)N4CCN(CC4)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)N(C)C)C3=CC(=CC=C3)N4CCN(CC4)CC(=O)O

InChI

InChI=1S/C24H29N5O4/c1-4-33-23(32)17-8-9-21-20(14-17)25-24(26(2)3)29(21)19-7-5-6-18(15-19)28-12-10-27(11-13-28)16-22(30)31/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,30,31)