2-[2-[4-[3-(dimethylamino)propoxy]-3-ethoxy-phenyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[4-[3-(dimethylamino)propoxy]-3-ethoxy-phenyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[4-[3-(dimethylamino)propoxy]-3-ethoxy-phenyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[4-[3-(dimethylamino)propoxy]-3-ethoxyphenyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[4-[3-(dimethylamino)propoxy]-3-ethoxyphenyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[4-[3-(dimethylamino)propoxy]-3-ethoxy-phenyl]benzimidazol-1-yl]acetic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC3=CC=CC=C3N2CC(=O)O)OCCCN(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC3=CC=CC=C3N2CC(=O)O)OCCCN(C)C

InChI

InChI=1S/C22H27N3O4/c1-4-28-20-14-16(10-11-19(20)29-13-7-12-24(2)3)22-23-17-8-5-6-9-18(17)25(22)15-21(26)27/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,26,27)