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

Systemtic Name: ethyl 3-[3-cyano-4-(dimethylamino)-2-fluoranyl-phenyl]-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate Openeye Name: ethyl 3-(6-benzyloxy-1H-indol-3-yl)-3-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]propanoate CAS Name: 3-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate Traditional Name: 3-(6-benzoxy-1H-indol-3-yl)-3-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]propionic acid ethyl ester Formula: C29H28FN3O3 MolecularWeight: 485.549323

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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)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=C(C(=C(C=C1)N(C)C)C#N)F)C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28FN3O3/c1-4-35-28(34)15-23(22-12-13-27(33(2)3)24(16-31)29(22)30)25-17-32-26-14-20(10-11-21(25)26)36-18-19-8-6-5-7-9-19/h5-14,17,23,32H,4,15,18H2,1-3H3