[[[(2-butylbenzimidazol-1-yl)-phenyl-methyl]amino]-phenyl-methyl]phosphonic acid; ethane

Systemtic Name: [[[(2-butylbenzimidazol-1-yl)-phenyl-methyl]amino]-phenyl-methyl]phosphonic acid; ethane Openeye Name: [[[(2-butylbenzimidazol-1-yl)-phenyl-methyl]amino]-phenyl-methyl]phosphonic acid; ethane CAS Name: [[[(2-butyl-1-benzimidazolyl)-phenylmethyl]amino]-phenylmethyl]phosphonic acid; ethane IUPAC Name: [[[(2-butylbenzimidazol-1-yl)-phenylmethyl]amino]-phenylmethyl]phosphonic acid; ethane Traditional Name: [[[(2-butylbenzimidazol-1-yl)-phenyl-methyl]amino]-phenyl-methyl]phosphonic acid; ethane Formula: C27H34N3O3P MolecularWeight: 479.550921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC.CCCCC1=NC2=CC=CC=C2N1C(C3=CC=CC=C3)NC(C4=CC=CC=C4)P(=O)(O)O

Isomeric SMILES

CC.CCCCC1=NC2=CC=CC=C2N1C(C3=CC=CC=C3)NC(C4=CC=CC=C4)P(=O)(O)O

InChI

InChI=1S/C25H28N3O3P.C2H6/c1-2-3-18-23-26-21-16-10-11-17-22(21)28(23)24(19-12-6-4-7-13-19)27-25(32(29,30)31)20-14-8-5-9-15-20;1-2/h4-17,24-25,27H,2-3,18H2,1H3,(H2,29,30,31);1-2H3