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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1N(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

CC1CN(CCC1N(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/c1-14-13-28(25(33)34)10-9-19(14)29(23(30)17-8-7-16(26)11-18(17)27)20-12-21(35-22(20)24(31)32)15-5-3-2-4-6-15/h2-8,11-12,14,19H,9-10,13H2,1H3,(H,31,32)(H,33,34)