4-[4-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethoxy]phenyl]benzonitrile Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

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