(2S)-2-[(phenylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-[(phenylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(benzylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: (2S)-2-[(phenylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(benzylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(benzylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C#N)NCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H](C#N)NCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3/c1-21-16-9-14(10-17(22-2)18(16)23-3)15(11-19)20-12-13-7-5-4-6-8-13/h4-10,15,20H,12H2,1-3H3/t15-/m1/s1