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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CN(CCC1CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C25H22Cl2N2O5S/c26-17-6-7-18(19(27)12-17)23(30)29(14-15-8-10-28(11-9-15)25(33)34)20-13-21(35-22(20)24(31)32)16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,31,32)(H,33,34)