[[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]amino]-phenyl-methyl]phosphonic acid; ethane

Systemtic Name: [[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]amino]-phenyl-methyl]phosphonic acid; ethane Openeye Name: [[4-[(2-butylbenzimidazol-1-yl)methyl]anilino]-phenyl-methyl]phosphonic acid; ethane CAS Name: [[4-[(2-butyl-1-benzimidazolyl)methyl]anilino]-phenylmethyl]phosphonic acid; ethane IUPAC Name: [[4-[(2-butylbenzimidazol-1-yl)methyl]anilino]-phenylmethyl]phosphonic acid; ethane Traditional Name: [[4-[(2-butylbenzimidazol-1-yl)methyl]anilino]-phenyl-methyl]phosphonic acid; ethane Formula: C27H34N3O3P MolecularWeight: 479.550921

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)NC(C4=CC=CC=C4)P(=O)(O)O

Isomeric SMILES

CC.CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)NC(C4=CC=CC=C4)P(=O)(O)O

InChI

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