N,N-dimethylaniline; 4-[2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-2-yl]butanenitrile

Systemtic Name: N,N-dimethylaniline; 4-[2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-2-yl]butanenitrile Openeye Name: N,N-dimethylaniline; 4-[2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-2-yl]butanenitrile CAS Name: N,N-dimethylaniline; 4-[2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-2-yl]butanenitrile IUPAC Name: N,N-dimethylaniline; 4-[2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-2-yl]butanenitrile Traditional Name: dimethyl(phenyl)amine; 4-[2-(3,4,5-trimethoxyphenyl)-1,3-dioxolan-2-yl]butyronitrile Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=C1.COC1=CC(=CC(=C1OC)OC)C2(OCCO2)CCCC#N

Isomeric SMILES

CN(C)C1=CC=CC=C1.COC1=CC(=CC(=C1OC)OC)C2(OCCO2)CCCC#N

InChI

InChI=1S/C16H21NO5.C8H11N/c1-18-13-10-12(11-14(19-2)15(13)20-3)16(6-4-5-7-17)21-8-9-22-16;1-9(2)8-6-4-3-5-7-8/h10-11H,4-6,8-9H2,1-3H3;3-7H,1-2H3