ethyl 1-[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-[(2,5-dimethylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carbonyl]nipecotic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CS2)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CS2)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H27NO4S/c1-4-26-22(25)18-6-5-9-23(12-18)21(24)20-11-17(14-28-20)13-27-19-10-15(2)7-8-16(19)3/h7-8,10-11,14,18H,4-6,9,12-13H2,1-3H3