4-[5-oxidanylidene-2-(phenoxymethyl)-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-3-yl]butanenitrile

Systemtic Name: 4-[5-oxidanylidene-2-(phenoxymethyl)-1-(3-phenylpropyl)-4-prop-2-enyl-pyrrolidin-3-yl]butanenitrile Openeye Name: 4-[4-allyl-5-oxo-2-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]butanenitrile CAS Name: 4-[5-oxo-2-(phenoxymethyl)-1-(3-phenylpropyl)-4-prop-2-enyl-3-pyrrolidinyl]butanenitrile IUPAC Name: 4-[5-oxo-2-(phenoxymethyl)-1-(3-phenylpropyl)-4-prop-2-enylpyrrolidin-3-yl]butanenitrile Traditional Name: 4-[4-allyl-5-keto-2-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]butyronitrile Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C(C(N(C1=O)CCCC2=CC=CC=C2)COC3=CC=CC=C3)CCCC#N

Isomeric SMILES

C=CCC1C(C(N(C1=O)CCCC2=CC=CC=C2)COC3=CC=CC=C3)CCCC#N

InChI

InChI=1S/C27H32N2O2/c1-2-12-25-24(18-9-10-19-28)26(21-31-23-16-7-4-8-17-23)29(27(25)30)20-11-15-22-13-5-3-6-14-22/h2-8,13-14,16-17,24-26H,1,9-12,15,18,20-21H2