methyl (2S)-1-[6-(2-methoxyethanoylamino)-3-phenethyl-benzimidazol-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[6-(2-methoxyethanoylamino)-3-phenethyl-benzimidazol-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[6-[(2-methoxyacetyl)amino]-3-phenethyl-benzimidazole-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[6-[(2-methoxy-1-oxoethyl)amino]-3-phenethyl-4-benzimidazolyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[6-[(2-methoxyacetyl)amino]-3-phenethylbenzimidazole-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[6-[(2-methoxyacetyl)amino]-3-phenethyl-benzimidazole-4-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC2=C(C(=C1)C(=O)N3CCCC3C(=O)OC)N(C=N2)CCC4=CC=CC=C4

Isomeric SMILES

COCC(=O)NC1=CC2=C(C(=C1)C(=O)N3CCC[C@H]3C(=O)OC)N(C=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5/c1-33-15-22(30)27-18-13-19(24(31)29-11-6-9-21(29)25(32)34-2)23-20(14-18)26-16-28(23)12-10-17-7-4-3-5-8-17/h3-5,7-8,13-14,16,21H,6,9-12,15H2,1-2H3,(H,27,30)/t21-/m0/s1