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

Systemtic Name: 4-[(2,4-dichlorophenyl)carbonyl-(2-methoxycarbonyl-5-phenyl-thiophen-3-yl)amino]piperidine-1-carboxylic acid Openeye Name: 4-[(2,4-dichlorobenzoyl)-(2-methoxycarbonyl-5-phenyl-3-thienyl)amino]piperidine-1-carboxylic acid CAS Name: 4-[[(2,4-dichlorophenyl)-oxomethyl]-(2-methoxycarbonyl-5-phenyl-3-thiophenyl)amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[(2,4-dichlorobenzoyl)-(2-methoxycarbonyl-5-phenylthiophen-3-yl)amino]piperidine-1-carboxylic acid Traditional Name: 4-[(2-carbomethoxy-5-phenyl-3-thienyl)-(2,4-dichlorobenzoyl)amino]piperidine-1-carboxylic acid Formula: C25H22Cl2N2O5S MolecularWeight: 533.42358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(C3CCN(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(C3CCN(CC3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H22Cl2N2O5S/c1-34-24(31)22-20(14-21(35-22)15-5-3-2-4-6-15)29(17-9-11-28(12-10-17)25(32)33)23(30)18-8-7-16(26)13-19(18)27/h2-8,13-14,17H,9-12H2,1H3,(H,32,33)