[3-(2-azanyl-2-oxidanylidene-ethyl)-2-(4-fluorophenyl)-1-(phenylmethyl)indol-5-yl] ethanoate

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-2-(4-fluorophenyl)-1-(phenylmethyl)indol-5-yl] ethanoate Openeye Name: [3-(2-amino-2-oxo-ethyl)-1-benzyl-2-(4-fluorophenyl)indol-5-yl] acetate CAS Name: acetic acid [3-(2-amino-2-oxoethyl)-2-(4-fluorophenyl)-1-(phenylmethyl)-5-indolyl] ester IUPAC Name: [3-(2-amino-2-oxoethyl)-1-benzyl-2-(4-fluorophenyl)indol-5-yl] acetate Traditional Name: acetic acid [3-(2-amino-2-keto-ethyl)-1-benzyl-2-(4-fluorophenyl)indol-5-yl] ester Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N(C(=C2CC(=O)N)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N(C(=C2CC(=O)N)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C25H21FN2O3/c1-16(29)31-20-11-12-23-21(13-20)22(14-24(27)30)25(18-7-9-19(26)10-8-18)28(23)15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H2,27,30)