ethyl 3-[3-cyano-4-(dimethylamino)-2-fluoranyl-phenyl]-3-(6-oxidanyl-1H-indol-3-yl)propanoate

Systemtic Name: ethyl 3-[3-cyano-4-(dimethylamino)-2-fluoranyl-phenyl]-3-(6-oxidanyl-1H-indol-3-yl)propanoate Openeye Name: ethyl 3-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]-3-(6-hydroxy-1H-indol-3-yl)propanoate CAS Name: 3-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-3-(6-hydroxy-1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-3-(6-hydroxy-1H-indol-3-yl)propanoate Traditional Name: 3-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]-3-(6-hydroxy-1H-indol-3-yl)propionic acid ethyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C(C(=C(C=C1)N(C)C)C#N)F)C2=CNC3=C2C=CC(=C3)O

Isomeric SMILES

CCOC(=O)CC(C1=C(C(=C(C=C1)N(C)C)C#N)F)C2=CNC3=C2C=CC(=C3)O

InChI

InChI=1S/C22H22FN3O3/c1-4-29-21(28)10-16(18-12-25-19-9-13(27)5-6-14(18)19)15-7-8-20(26(2)3)17(11-24)22(15)23/h5-9,12,16,25,27H,4,10H2,1-3H3