methyl 2-[(2R)-1-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazol-4-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazol-4-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazole-4-carbonyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[[6-acetamido-3-ethyl-2-(2-fluorophenyl)-4-benzimidazolyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazole-4-carbonyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-[6-acetamido-3-ethyl-2-(2-fluorophenyl)benzimidazole-4-carbonyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C25H26FN5O5 MolecularWeight: 495.502843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2C(=O)N3CCNC(=O)C3CC(=O)OC)NC(=O)C)N=C1C4=CC=CC=C4F

Isomeric SMILES

CCN1C2=C(C=C(C=C2C(=O)N3CCNC(=O)[C@H]3CC(=O)OC)NC(=O)C)N=C1C4=CC=CC=C4F

InChI

InChI=1S/C25H26FN5O5/c1-4-30-22-17(25(35)31-10-9-27-24(34)20(31)13-21(33)36-3)11-15(28-14(2)32)12-19(22)29-23(30)16-7-5-6-8-18(16)26/h5-8,11-12,20H,4,9-10,13H2,1-3H3,(H,27,34)(H,28,32)/t20-/m1/s1