N-[diethoxyphosphoryl(phenyl)methyl]-4-[(4-methyl-2-propyl-benzimidazol-1-yl)methyl]aniline

Systemtic Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(4-methyl-2-propyl-benzimidazol-1-yl)methyl]aniline Openeye Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(4-methyl-2-propyl-benzimidazol-1-yl)methyl]aniline CAS Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(4-methyl-2-propyl-1-benzimidazolyl)methyl]aniline IUPAC Name: N-[diethoxyphosphoryl(phenyl)methyl]-4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]aniline Traditional Name: [diethoxyphosphoryl(phenyl)methyl]-[4-[(4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]amine Formula: C29H36N3O3P MolecularWeight: 505.588201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)NC(C4=CC=CC=C4)P(=O)(OCC)OCC)C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)NC(C4=CC=CC=C4)P(=O)(OCC)OCC)C

InChI

InChI=1S/C29H36N3O3P/c1-5-12-27-31-28-22(4)13-11-16-26(28)32(27)21-23-17-19-25(20-18-23)30-29(24-14-9-8-10-15-24)36(33,34-6-2)35-7-3/h8-11,13-20,29-30H,5-7,12,21H2,1-4H3