ethyl 3-[2-[1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[1-[(1,3-dioxoisoindolin-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-[1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[2-[1-(phthalimidomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C31H27FN4O5 MolecularWeight: 554.568283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CN3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CN3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H27FN4O5/c1-2-41-31(40)28-27(23-15-19(32)11-12-24(23)33-28)34-26(37)17-35-14-13-18-7-3-4-8-20(18)25(35)16-36-29(38)21-9-5-6-10-22(21)30(36)39/h3-12,15,25,33H,2,13-14,16-17H2,1H3,(H,34,37)