ethyl 1-[4-[(3-chloranylphenoxy)methyl]thiophen-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[(3-chloranylphenoxy)methyl]thiophen-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(3-chlorophenoxy)methyl]thiophene-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-[(3-chlorophenoxy)methyl]-2-thiophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-chlorophenoxy)methyl]thiophene-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(3-chlorophenoxy)methyl]thiophene-2-carbonyl]nipecotic acid ethyl ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-2-25-20(24)15-5-4-8-22(11-15)19(23)18-9-14(13-27-18)12-26-17-7-3-6-16(21)10-17/h3,6-7,9-10,13,15H,2,4-5,8,11-12H2,1H3