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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(3-methyl-1-phenylmethoxycarbonyl-piperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-benzyloxycarbonyl-3-methyl-4-piperidyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(3-methyl-1-phenylmethoxycarbonyl-4-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(3-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-carbobenzoxy-3-methyl-4-piperidyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-2-thenoic acid Formula: C32H28Cl2N2O5S MolecularWeight: 623.54612

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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)OCC5=CC=CC=C5

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)OCC5=CC=CC=C5

InChI

InChI=1S/C32H28Cl2N2O5S/c1-20-18-35(32(40)41-19-21-8-4-2-5-9-21)15-14-26(20)36(30(37)24-13-12-23(33)16-25(24)34)27-17-28(42-29(27)31(38)39)22-10-6-3-7-11-22/h2-13,16-17,20,26H,14-15,18-19H2,1H3,(H,38,39)