diethyl 2-[[1-(benzotriazol-1-ylmethyl)benzimidazol-2-yl]-phenyl-methyl]butanedioate

Systemtic Name: diethyl 2-[[1-(benzotriazol-1-ylmethyl)benzimidazol-2-yl]-phenyl-methyl]butanedioate Openeye Name: diethyl 2-[[1-(benzotriazol-1-ylmethyl)benzimidazol-2-yl]-phenyl-methyl]butanedioate CAS Name: 2-[[1-(1-benzotriazolylmethyl)-2-benzimidazolyl]-phenylmethyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[[1-(benzotriazol-1-ylmethyl)benzimidazol-2-yl]-phenylmethyl]butanedioate Traditional Name: 2-[[1-(benzotriazol-1-ylmethyl)benzimidazol-2-yl]-phenyl-methyl]succinic acid diethyl ester Formula: C29H29N5O4 MolecularWeight: 511.57166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2CN4C5=CC=CC=C5N=N4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2CN4C5=CC=CC=C5N=N4)C(=O)OCC

InChI

InChI=1S/C29H29N5O4/c1-3-37-26(35)18-21(29(36)38-4-2)27(20-12-6-5-7-13-20)28-30-22-14-8-10-16-24(22)33(28)19-34-25-17-11-9-15-23(25)31-32-34/h5-17,21,27H,3-4,18-19H2,1-2H3