2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-prop-2-ynyl-2H-benzimidazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-prop-2-ynyl-2H-benzimidazole Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-prop-2-ynyl-2H-benzimidazole CAS Name: 2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-prop-2-ynyl-2H-benzimidazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-prop-2-ynyl-2H-benzimidazole Traditional Name: 2-(3,4-dimethoxyphenyl)-1-propargyl-3-veratryl-2H-benzimidazole Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(N(C3=CC=CC=C32)CC#C)C4=CC(=C(C=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(N(C3=CC=CC=C32)CC#C)C4=CC(=C(C=C4)OC)OC)OC

InChI

InChI=1S/C27H28N2O4/c1-6-15-28-21-9-7-8-10-22(21)29(18-19-11-13-23(30-2)25(16-19)32-4)27(28)20-12-14-24(31-3)26(17-20)33-5/h1,7-14,16-17,27H,15,18H2,2-5H3