tert-butyl 2-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: tert-butyl 2-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: tert-butyl 2-[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[1-[2-(3-thiophenyl)ethyl]-2-imidazolyl]-1-piperidinyl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbonyl]benzoic acid tert-butyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CCC4=CSC=C4

InChI

InChI=1S/C26H31N3O3S/c1-26(2,3)32-25(31)22-7-5-4-6-21(22)24(30)29-14-9-20(10-15-29)23-27-12-16-28(23)13-8-19-11-17-33-18-19/h4-7,11-12,16-18,20H,8-10,13-15H2,1-3H3