[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

InChI

InChI=1S/C21H21FN2O5/c1-12(20(25)23-11-13-4-6-15(22)7-5-13)29-21(26)17-9-14-8-16(27-2)10-18(28-3)19(14)24-17/h4-10,12,24H,11H2,1-3H3,(H,23,25)