ethyl 1-[7-(2-methoxyethanoylamino)-1-phenethyl-benzimidazol-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[7-(2-methoxyethanoylamino)-1-phenethyl-benzimidazol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[7-[(2-methoxyacetyl)amino]-1-phenethyl-benzimidazole-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[7-[(2-methoxy-1-oxoethyl)amino]-1-phenethyl-5-benzimidazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-[(2-methoxyacetyl)amino]-1-phenethylbenzimidazole-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[7-[(2-methoxyacetyl)amino]-1-phenethyl-benzimidazole-5-carbonyl]nipecotic acid ethyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C(=C2)NC(=O)COC)N(C=N3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C(=C2)NC(=O)COC)N(C=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O5/c1-3-36-27(34)20-10-7-12-30(16-20)26(33)21-14-22-25(23(15-21)29-24(32)17-35-2)31(18-28-22)13-11-19-8-5-4-6-9-19/h4-6,8-9,14-15,18,20H,3,7,10-13,16-17H2,1-2H3,(H,29,32)