2-[1-phenylmethoxycarbonyl-2-[(phenylmethyl)amino]-3-(trifluoromethyl)-2H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-phenylmethoxycarbonyl-2-[(phenylmethyl)amino]-3-(trifluoromethyl)-2H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(benzylamino)-1-benzyloxycarbonyl-3-(trifluoromethyl)indolin-3-yl]acetic acid CAS Name: 2-[1-phenylmethoxycarbonyl-2-[(phenylmethyl)amino]-3-(trifluoromethyl)-2H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(benzylamino)-1-phenylmethoxycarbonyl-3-(trifluoromethyl)-2H-indol-3-yl]acetic acid Traditional Name: 2-[2-(benzylamino)-1-carbobenzoxy-3-(trifluoromethyl)indolin-3-yl]acetic acid Formula: C26H23F3N2O4 MolecularWeight: 484.46703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2C(C3=CC=CC=C3N2C(=O)OCC4=CC=CC=C4)(CC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2C(C3=CC=CC=C3N2C(=O)OCC4=CC=CC=C4)(CC(=O)O)C(F)(F)F

InChI

InChI=1S/C26H23F3N2O4/c27-26(28,29)25(15-22(32)33)20-13-7-8-14-21(20)31(23(25)30-16-18-9-3-1-4-10-18)24(34)35-17-19-11-5-2-6-12-19/h1-14,23,30H,15-17H2,(H,32,33)