ethyl 1-[5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-4-carboxylate CAS Name: 1-[5-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]-1-oxopentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpentanoyl]piperidine-4-carboxylate Traditional Name: 1-[5-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]pentanoyl]isonipecotic acid ethyl ester Formula: C32H41N3O3S MolecularWeight: 547.75124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H41N3O3S/c1-3-5-21-35-30(26-16-10-7-11-17-26)29(25-14-8-6-9-15-25)33-32(35)39-24-13-12-18-28(36)34-22-19-27(20-23-34)31(37)38-4-2/h6-11,14-17,27H,3-5,12-13,18-24H2,1-2H3