1-(phenylmethyl)-6-(3-piperidin-1-ylpropoxy)-2-(3,4,5-trimethoxyphenyl)benzimidazole

Systemtic Name: 1-(phenylmethyl)-6-(3-piperidin-1-ylpropoxy)-2-(3,4,5-trimethoxyphenyl)benzimidazole Openeye Name: 1-benzyl-6-[3-(1-piperidyl)propoxy]-2-(3,4,5-trimethoxyphenyl)benzimidazole CAS Name: 1-(phenylmethyl)-6-[3-(1-piperidinyl)propoxy]-2-(3,4,5-trimethoxyphenyl)benzimidazole IUPAC Name: 1-benzyl-6-(3-piperidin-1-ylpropoxy)-2-(3,4,5-trimethoxyphenyl)benzimidazole Traditional Name: 1-benzyl-6-(3-piperidinopropoxy)-2-(3,4,5-trimethoxyphenyl)benzimidazole Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=C(N2CC4=CC=CC=C4)C=C(C=C3)OCCCN5CCCCC5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=C(N2CC4=CC=CC=C4)C=C(C=C3)OCCCN5CCCCC5

InChI

InChI=1S/C31H37N3O4/c1-35-28-19-24(20-29(36-2)30(28)37-3)31-32-26-14-13-25(38-18-10-17-33-15-8-5-9-16-33)21-27(26)34(31)22-23-11-6-4-7-12-23/h4,6-7,11-14,19-21H,5,8-10,15-18,22H2,1-3H3