3-[(2,4-dichlorophenyl)carbonyl-(3-methyl-1-phenylmethoxycarbonyl-piperidin-4-yl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(3-methyl-1-phenylmethoxycarbonyl-piperidin-4-yl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-benzyloxycarbonyl-3-methyl-piperidine-4-carbonyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-[(3-methyl-1-phenylmethoxycarbonyl-4-piperidinyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(3-methyl-1-phenylmethoxycarbonylpiperidine-4-carbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-carbobenzoxy-3-methyl-isonipecotoyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-2-thenoic acid Formula: C33H28Cl2N2O6S MolecularWeight: 651.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCC1C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H28Cl2N2O6S/c1-20-18-36(33(42)43-19-21-8-4-2-5-9-21)15-14-24(20)30(38)37(31(39)25-13-12-23(34)16-26(25)35)27-17-28(44-29(27)32(40)41)22-10-6-3-7-11-22/h2-13,16-17,20,24H,14-15,18-19H2,1H3,(H,40,41)