butanedioic acid; 3-[1-(2-dimethylaminoethyloxy)-1-phenyl-ethyl]benzenecarbonitrile

Systemtic Name: butanedioic acid; 3-[1-(2-dimethylaminoethyloxy)-1-phenyl-ethyl]benzenecarbonitrile Openeye Name: 3-[1-(2-dimethylaminoethyloxy)-1-phenyl-ethyl]benzonitrile; succinic acid CAS Name: butanedioic acid; 3-[1-(2-dimethylaminoethyloxy)-1-phenylethyl]benzonitrile IUPAC Name: butanedioic acid; 3-[1-(2-dimethylaminoethyloxy)-1-phenylethyl]benzonitrile Traditional Name: 3-[1-(2-dimethylaminoethyloxy)-1-phenyl-ethyl]benzonitrile; succinic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC(=C2)C#N)OCCN(C)C.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC(=C2)C#N)OCCN(C)C.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H22N2O.C4H6O4/c1-19(22-13-12-21(2)3,17-9-5-4-6-10-17)18-11-7-8-16(14-18)15-20;5-3(6)1-2-4(7)8/h4-11,14H,12-13H2,1-3H3;1-2H2,(H,5,6)(H,7,8)