3-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]phenyl]methylamino]-2-phenyl-phenyl]benzoic acid

Systemtic Name: 3-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]phenyl]methylamino]-2-phenyl-phenyl]benzoic acid Openeye Name: 3-[4-[(4-tert-butoxycarbonylsulfanylphenyl)methylamino]-2-phenyl-phenyl]benzoic acid CAS Name: 3-[4-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]phenyl]methylamino]-2-phenylphenyl]benzoic acid IUPAC Name: 3-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]phenyl]methylamino]-2-phenylphenyl]benzoic acid Traditional Name: 3-[4-[[4-(tert-butoxycarbonylthio)benzyl]amino]-2-phenyl-phenyl]benzoic acid Formula: C31H29NO4S MolecularWeight: 511.63126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1=CC=C(C=C1)CNC2=CC(=C(C=C2)C3=CC(=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)SC1=CC=C(C=C1)CNC2=CC(=C(C=C2)C3=CC(=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C31H29NO4S/c1-31(2,3)36-30(35)37-26-15-12-21(13-16-26)20-32-25-14-17-27(23-10-7-11-24(18-23)29(33)34)28(19-25)22-8-5-4-6-9-22/h4-19,32H,20H2,1-3H3,(H,33,34)