2-[(3-fluorophenyl)carbonylamino]-4-(1-phenylmethoxycarbonylpiperidin-3-yl)thiophene-3-carboxylic acid

Systemtic Name: 2-[(3-fluorophenyl)carbonylamino]-4-(1-phenylmethoxycarbonylpiperidin-3-yl)thiophene-3-carboxylic acid Openeye Name: 4-(1-benzyloxycarbonyl-3-piperidyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]amino]-4-(1-phenylmethoxycarbonyl-3-piperidinyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(3-fluorobenzoyl)amino]-4-(1-phenylmethoxycarbonylpiperidin-3-yl)thiophene-3-carboxylic acid Traditional Name: 4-(1-carbobenzoxy-3-piperidyl)-2-[(3-fluorobenzoyl)amino]-3-thenoic acid Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=CSC(=C3C(=O)O)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=CSC(=C3C(=O)O)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FN2O5S/c26-19-10-4-8-17(12-19)22(29)27-23-21(24(30)31)20(15-34-23)18-9-5-11-28(13-18)25(32)33-14-16-6-2-1-3-7-16/h1-4,6-8,10,12,15,18H,5,9,11,13-14H2,(H,27,29)(H,30,31)