ethyl 1-[5-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-(1-isopropyl-4,5-diphenyl-imidazol-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate CAS Name: 1-[5-[(4,5-diphenyl-1-propan-2-yl-2-imidazolyl)thio]-1-oxopentyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpentanoyl]piperidine-3-carboxylate Traditional Name: 1-[5-[(1-isopropyl-4,5-diphenyl-imidazol-2-yl)thio]pentanoyl]nipecotic acid ethyl ester Formula: C31H39N3O3S MolecularWeight: 533.72466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCCSC2=NC(=C(N2C(C)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCCCSC2=NC(=C(N2C(C)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H39N3O3S/c1-4-37-30(36)26-18-13-20-33(22-26)27(35)19-11-12-21-38-31-32-28(24-14-7-5-8-15-24)29(34(31)23(2)3)25-16-9-6-10-17-25/h5-10,14-17,23,26H,4,11-13,18-22H2,1-3H3