4-[[1-(2-dimethylaminoethyl)-3-(4-methylphenyl)carbonyl-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(2-dimethylaminoethyl)-3-(4-methylphenyl)carbonyl-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[1-(2-dimethylaminoethyl)-3-(4-methylbenzoyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-yl]oxymethyl]benzonitrile CAS Name: 4-[[1-(2-dimethylaminoethyl)-3-[(4-methylphenyl)-oxomethyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-yl]oxymethyl]benzonitrile IUPAC Name: 4-[[1-(2-dimethylaminoethyl)-3-(4-methylbenzoyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-yl]oxymethyl]benzonitrile Traditional Name: 4-[[1-(2-dimethylaminoethyl)-2-keto-5-(3-propoxyphenyl)-4-p-toluoyl-3-pyrrolin-3-yl]oxymethyl]benzonitrile Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCN(C)C)OCC3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCN(C)C)OCC3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H35N3O4/c1-5-19-39-28-8-6-7-27(20-28)30-29(31(37)26-15-9-23(2)10-16-26)32(33(38)36(30)18-17-35(3)4)40-22-25-13-11-24(21-34)12-14-25/h6-16,20,30H,5,17-19,22H2,1-4H3