7-[2-oxidanylidene-5-[3-oxidanyl-4-(3-phenylphenyl)butyl]pyrrolidin-1-yl]heptanenitrile

Systemtic Name: 7-[2-oxidanylidene-5-[3-oxidanyl-4-(3-phenylphenyl)butyl]pyrrolidin-1-yl]heptanenitrile Openeye Name: 7-[2-[3-hydroxy-4-(3-phenylphenyl)butyl]-5-oxo-pyrrolidin-1-yl]heptanenitrile CAS Name: 7-[2-[3-hydroxy-4-(3-phenylphenyl)butyl]-5-oxo-1-pyrrolidinyl]heptanenitrile IUPAC Name: 7-[2-[3-hydroxy-4-(3-phenylphenyl)butyl]-5-oxopyrrolidin-1-yl]heptanenitrile Traditional Name: 7-[2-[3-hydroxy-4-(3-phenylphenyl)butyl]-5-keto-pyrrolidino]enanthonitrile Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CCC(CC2=CC=CC(=C2)C3=CC=CC=C3)O)CCCCCCC#N

Isomeric SMILES

C1CC(=O)N(C1CCC(CC2=CC=CC(=C2)C3=CC=CC=C3)O)CCCCCCC#N

InChI

InChI=1S/C27H34N2O2/c28-18-7-2-1-3-8-19-29-25(15-17-27(29)31)14-16-26(30)21-22-10-9-13-24(20-22)23-11-5-4-6-12-23/h4-6,9-13,20,25-26,30H,1-3,7-8,14-17,19,21H2