ethyl 3-[[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-(1-ethyl-2-benzimidazolyl)-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC(CC(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC(CC(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3/c1-3-30-22-13-9-8-12-20(22)26-24(30)28-14-16-29(17-15-28)25(32)27-21(18-23(31)33-4-2)19-10-6-5-7-11-19/h5-13,21H,3-4,14-18H2,1-2H3,(H,27,32)