methyl 4-[4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-35-28(34)23-13-11-22(12-14-23)27(33)31-17-15-30(16-18-31)20-26-29-24-9-5-6-10-25(24)32(26)19-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3