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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=CC=CC=C2C=C1C(=O)NC3=CC(=C(C=C3)OCC(C)(C)C)C#N)OC(=O)C

Isomeric SMILES

CC(N1C2=CC=CC=C2C=C1C(=O)NC3=CC(=C(C=C3)OCC(C)(C)C)C#N)OC(=O)C

InChI

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