4-(ethylaminomethyl)-3-phenylmethoxy-benzenecarbonitrile; methyl benzoate

Systemtic Name: 4-(ethylaminomethyl)-3-phenylmethoxy-benzenecarbonitrile; methyl benzoate Openeye Name: 3-benzyloxy-4-(ethylaminomethyl)benzonitrile; methyl benzoate CAS Name: benzoic acid methyl ester; 4-(ethylaminomethyl)-3-phenylmethoxybenzonitrile IUPAC Name: 4-(ethylaminomethyl)-3-phenylmethoxybenzonitrile; methyl benzoate Traditional Name: benzoic acid methyl ester; 3-benzoxy-4-(ethylaminomethyl)benzonitrile Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=C(C=C1)C#N)OCC2=CC=CC=C2.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CCNCC1=C(C=C(C=C1)C#N)OCC2=CC=CC=C2.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H18N2O.C8H8O2/c1-2-19-12-16-9-8-15(11-18)10-17(16)20-13-14-6-4-3-5-7-14;1-10-8(9)7-5-3-2-4-6-7/h3-10,19H,2,12-13H2,1H3;2-6H,1H3