(2S)-2-[(phenylmethyl)amino]-2-(4-propan-2-yloxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-[(phenylmethyl)amino]-2-(4-propan-2-yloxyphenyl)ethanenitrile Openeye Name: (2S)-2-(benzylamino)-2-(4-isopropoxyphenyl)acetonitrile CAS Name: (2S)-2-[(phenylmethyl)amino]-2-(4-propan-2-yloxyphenyl)acetonitrile IUPAC Name: (2S)-2-(benzylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile Traditional Name: (2S)-2-(benzylamino)-2-(4-isopropoxyphenyl)acetonitrile Formula: C18H20N2O MolecularWeight: 280.3642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C#N)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H](C#N)NCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O/c1-14(2)21-17-10-8-16(9-11-17)18(12-19)20-13-15-6-4-3-5-7-15/h3-11,14,18,20H,13H2,1-2H3/t18-/m1/s1