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

Systemtic Name: 4-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC2=C(C=C(C=C2)C#N)OC

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC2=C(C=C(C=C2)C#N)OC

InChI

InChI=1S/C21H26N2O3/c1-14(2)8-9-23-15(3)10-18(16(23)4)19(24)13-26-20-7-6-17(12-22)11-21(20)25-5/h6-7,10-11,14H,8-9,13H2,1-5H3