4-[[(2R)-1-phenylmethoxy-3-[(phenylmethyl)-prop-2-enyl-amino]propan-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[(2R)-1-phenylmethoxy-3-[(phenylmethyl)-prop-2-enyl-amino]propan-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[(1R)-1-[[allyl(benzyl)amino]methyl]-2-benzyloxy-ethyl]amino]benzonitrile CAS Name: 4-[[(2R)-1-phenylmethoxy-3-[(phenylmethyl)-prop-2-enylamino]propan-2-yl]amino]benzonitrile IUPAC Name: 4-[[(2R)-1-[benzyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-yl]amino]benzonitrile Traditional Name: 4-[[(1R)-1-[[allyl(benzyl)amino]methyl]-2-benzoxy-ethyl]amino]benzonitrile Formula: C27H29N3O MolecularWeight: 411.53866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CC=C1)CC(COCC2=CC=CC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C=CCN(CC1=CC=CC=C1)C[C@H](COCC2=CC=CC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H29N3O/c1-2-17-30(19-24-9-5-3-6-10-24)20-27(22-31-21-25-11-7-4-8-12-25)29-26-15-13-23(18-28)14-16-26/h2-16,27,29H,1,17,19-22H2/t27-/m1/s1