(4-methoxycarbonylphenyl) 4-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 4-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]piperidine-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 4-[1-(3-chlorobenzothiophene-2-carbonyl)-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinyl]-1-piperidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 4-[1-(3-chloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(3-chlorobenzothiophene-2-carbonyl)-4-piperidyl]piperidine-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C28H29ClN2O5S MolecularWeight: 541.05826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)N2CCC(CC2)C3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)N2CCC(CC2)C3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C28H29ClN2O5S/c1-35-27(33)20-6-8-21(9-7-20)36-28(34)31-16-12-19(13-17-31)18-10-14-30(15-11-18)26(32)25-24(29)22-4-2-3-5-23(22)37-25/h2-9,18-19H,10-17H2,1H3