4-[[(2,4-dichlorophenyl)carbonyl-(2-methoxycarbonyl-5-phenyl-thiophen-3-yl)amino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[(2,4-dichlorophenyl)carbonyl-(2-methoxycarbonyl-5-phenyl-thiophen-3-yl)amino]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[(2,4-dichlorobenzoyl)-(2-methoxycarbonyl-5-phenyl-3-thienyl)amino]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[[(2,4-dichlorophenyl)-oxomethyl]-(2-methoxycarbonyl-5-phenyl-3-thiophenyl)amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[(2,4-dichlorobenzoyl)-(2-methoxycarbonyl-5-phenylthiophen-3-yl)amino]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[(2-carbomethoxy-5-phenyl-3-thienyl)-(2,4-dichlorobenzoyl)amino]methyl]piperidine-1-carboxylic acid Formula: C26H24Cl2N2O5S MolecularWeight: 547.45016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(CC3CCN(CC3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(CC3CCN(CC3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H24Cl2N2O5S/c1-35-25(32)23-21(14-22(36-23)17-5-3-2-4-6-17)30(15-16-9-11-29(12-10-16)26(33)34)24(31)19-8-7-18(27)13-20(19)28/h2-8,13-14,16H,9-12,15H2,1H3,(H,33,34)