ethyl 4-[[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-[1-(phenylmethyl)-2-benzimidazolyl]-1-piperazinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-2-36-26(34)22-12-14-23(15-13-22)29-28(35)32-18-16-31(17-19-32)27-30-24-10-6-7-11-25(24)33(27)20-21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3,(H,29,35)