ethyl ethanoate; 3-[(4-ethylphenyl)methylamino]benzenecarbonitrile

Systemtic Name: ethyl ethanoate; 3-[(4-ethylphenyl)methylamino]benzenecarbonitrile Openeye Name: ethyl acetate; 3-[(4-ethylphenyl)methylamino]benzonitrile CAS Name: acetic acid ethyl ester; 3-[(4-ethylphenyl)methylamino]benzonitrile IUPAC Name: ethyl acetate; 3-[(4-ethylphenyl)methylamino]benzonitrile Traditional Name: acetic acid ethyl ester; 3-[(4-ethylbenzyl)amino]benzonitrile Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=CC=CC(=C2)C#N.CCOC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=CC=CC(=C2)C#N.CCOC(=O)C

InChI

InChI=1S/C16H16N2.C4H8O2/c1-2-13-6-8-14(9-7-13)12-18-16-5-3-4-15(10-16)11-17;1-3-6-4(2)5/h3-10,18H,2,12H2,1H3;3H2,1-2H3