N-[(7S)-10-[2-(4-fluorophenyl)ethylamino]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-10-[2-(4-fluorophenyl)ethylamino]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-10-[2-(4-fluorophenyl)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-10-[2-(4-fluorophenyl)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-10-[2-(4-fluorophenyl)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-10-[2-(4-fluorophenyl)ethylamino]-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C29H31FN2O5 MolecularWeight: 506.565243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC4=CC=C(C=C4)F)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC4=CC=C(C=C4)F)OC)OC)OC

InChI

InChI=1S/C29H31FN2O5/c1-17(33)32-23-11-7-19-15-26(35-2)28(36-3)29(37-4)27(19)21-10-12-24(25(34)16-22(21)23)31-14-13-18-5-8-20(30)9-6-18/h5-6,8-10,12,15-16,23H,7,11,13-14H2,1-4H3,(H,31,34)(H,32,33)/t23-/m0/s1