(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-[(2-methyl-1H-indol-3-yl)carbonyl]prop-2-enenitrile

Systemtic Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-[(2-methyl-1H-indol-3-yl)carbonyl]prop-2-enenitrile Openeye Name: (E)-3-(4-isopentyloxy-3-methoxy-phenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)-2-(2-methyl-1H-indole-3-carbonyl)acrylonitrile Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CC(=C(C=C3)OCCC(C)C)OC)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC(=C(C=C3)OCCC(C)C)OC)/C#N

InChI

InChI=1S/C25H26N2O3/c1-16(2)11-12-30-22-10-9-18(14-23(22)29-4)13-19(15-26)25(28)24-17(3)27-21-8-6-5-7-20(21)24/h5-10,13-14,16,27H,11-12H2,1-4H3/b19-13+