ethyl ethanoate; 3-[(3-phenylmethoxyphenyl)methylamino]benzenecarbonitrile

Systemtic Name: ethyl ethanoate; 3-[(3-phenylmethoxyphenyl)methylamino]benzenecarbonitrile Openeye Name: 3-[(3-benzyloxyphenyl)methylamino]benzonitrile; ethyl acetate CAS Name: acetic acid ethyl ester; 3-[(3-phenylmethoxyphenyl)methylamino]benzonitrile IUPAC Name: ethyl acetate; 3-[(3-phenylmethoxyphenyl)methylamino]benzonitrile Traditional Name: acetic acid ethyl ester; 3-[(3-benzoxybenzyl)amino]benzonitrile Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C.C1=CC=C(C=C1)COC2=CC=CC(=C2)CNC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)C.C1=CC=C(C=C1)COC2=CC=CC(=C2)CNC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H18N2O.C4H8O2/c22-14-18-8-4-10-20(12-18)23-15-19-9-5-11-21(13-19)24-16-17-6-2-1-3-7-17;1-3-6-4(2)5/h1-13,23H,15-16H2;3H2,1-2H3