2-[4-[[6-[1-(3-azanyl-3-oxidanylidene-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[6-[1-(3-azanyl-3-oxidanylidene-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[6-[1-(3-amino-3-oxo-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-[1-(3-amino-3-oxopropyl)-4-imidazolyl]-2-ethyl-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[6-[1-(3-amino-3-oxopropyl)imidazol-4-yl]-2-ethyl-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-[1-(3-amino-3-keto-propyl)imidazol-4-yl]-2-ethyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate Formula: C30H28N5O3- MolecularWeight: 506.57502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=CN(C=N5)CCC(=O)N)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C5=CN(C=N5)CCC(=O)N)C

InChI

InChI=1S/C30H29N5O3/c1-3-28-33-29-19(2)14-22(25-17-34(18-32-25)13-12-27(31)36)15-26(29)35(28)16-20-8-10-21(11-9-20)23-6-4-5-7-24(23)30(37)38/h4-11,14-15,17-18H,3,12-13,16H2,1-2H3,(H2,31,36)(H,37,38)/p-1