ethyl 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]indol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]indol-1-yl]acetate CAS Name: 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)anilino]-oxomethyl]-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]indol-1-yl]acetate Traditional Name: 2-[2-[(3-cyano-4-neopentyloxy-phenyl)carbamoyl]indol-1-yl]acetic acid ethyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C=C1C(=O)NC3=CC(=C(C=C3)OCC(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C=C1C(=O)NC3=CC(=C(C=C3)OCC(C)(C)C)C#N

InChI

InChI=1S/C25H27N3O4/c1-5-31-23(29)15-28-20-9-7-6-8-17(20)13-21(28)24(30)27-19-10-11-22(18(12-19)14-26)32-16-25(2,3)4/h6-13H,5,15-16H2,1-4H3,(H,27,30)