methyl 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C30H29N5O4 MolecularWeight: 523.58236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=C(C=C2C)NC5=C(C=CN5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=C(C=C2C)NC5=C(C=CN5)[N+](=O)[O-]

InChI

InChI=1S/C30H29N5O4/c1-4-7-27-33-28-19(2)16-22(32-29-25(35(37)38)14-15-31-29)17-26(28)34(27)18-20-10-12-21(13-11-20)23-8-5-6-9-24(23)30(36)39-3/h5-6,8-17,31-32H,4,7,18H2,1-3H3