N-[(2S)-1-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]-1-[(4-fluorophenyl)methyl]indole-2-carboxamide

Systemtic Name: N-[(2S)-1-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]-1-[(4-fluorophenyl)methyl]indole-2-carboxamide Openeye Name: N-[(1S)-1-(tert-butoxymethyl)-2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxo-ethyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxamide CAS Name: N-[(2S)-1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-1-[(4-fluorophenyl)methyl]-2-indolecarboxamide IUPAC Name: N-[(2S)-1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-1-[(4-fluorophenyl)methyl]indole-2-carboxamide Traditional Name: N-[(1S)-1-(tert-butoxymethyl)-2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-keto-ethyl]-1-(4-fluorobenzyl)indole-2-carboxamide Formula: C31H34FN3O5 MolecularWeight: 547.617163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)NCCC1=CC(=C(C=C1)O)O)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC[C@@H](C(=O)NCCC1=CC(=C(C=C1)O)O)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C31H34FN3O5/c1-31(2,3)40-19-24(29(38)33-15-14-20-10-13-27(36)28(37)16-20)34-30(39)26-17-22-6-4-5-7-25(22)35(26)18-21-8-11-23(32)12-9-21/h4-13,16-17,24,36-37H,14-15,18-19H2,1-3H3,(H,33,38)(H,34,39)/t24-/m0/s1