diethyl 2-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]methyl]-2-(phenylmethyl)propanedioate

Systemtic Name: diethyl 2-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]methyl]-2-(phenylmethyl)propanedioate Openeye Name: diethyl 2-benzyl-2-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]methyl]propanedioate CAS Name: 2-[[4-[(2-butyl-1-benzimidazolyl)methyl]phenyl]methyl]-2-(phenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzyl-2-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]methyl]propanedioate Traditional Name: 2-benzyl-2-[4-[(2-butylbenzimidazol-1-yl)methyl]benzyl]malonic acid diethyl ester Formula: C33H38N2O4 MolecularWeight: 526.66582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)CC(CC4=CC=CC=C4)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)CC(CC4=CC=CC=C4)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C33H38N2O4/c1-4-7-17-30-34-28-15-11-12-16-29(28)35(30)24-27-20-18-26(19-21-27)23-33(31(36)38-5-2,32(37)39-6-3)22-25-13-9-8-10-14-25/h8-16,18-21H,4-7,17,22-24H2,1-3H3