methyl (2S)-1-[7-(2-methoxyethanoylamino)-1-phenethyl-benzimidazol-5-yl]carbonylpiperidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[7-(2-methoxyethanoylamino)-1-phenethyl-benzimidazol-5-yl]carbonylpiperidine-2-carboxylate Openeye Name: methyl (2S)-1-[7-[(2-methoxyacetyl)amino]-1-phenethyl-benzimidazole-5-carbonyl]piperidine-2-carboxylate CAS Name: (2S)-1-[[7-[(2-methoxy-1-oxoethyl)amino]-1-phenethyl-5-benzimidazolyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[7-[(2-methoxyacetyl)amino]-1-phenethylbenzimidazole-5-carbonyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[7-[(2-methoxyacetyl)amino]-1-phenethyl-benzimidazole-5-carbonyl]pipecolinic acid methyl ester Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)C(=O)N4CCCCC4C(=O)OC

Isomeric SMILES

COCC(=O)NC1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)C(=O)N4CCCC[C@H]4C(=O)OC

InChI

InChI=1S/C26H30N4O5/c1-34-16-23(31)28-21-15-19(25(32)30-12-7-6-10-22(30)26(33)35-2)14-20-24(21)29(17-27-20)13-11-18-8-4-3-5-9-18/h3-5,8-9,14-15,17,22H,6-7,10-13,16H2,1-2H3,(H,28,31)/t22-/m0/s1