2-[(2-methylpropan-2-yl)oxycarbonyl-(phenanthren-9-ylmethyl)amino]ethyl 4-(2-cyanophenyl)piperazine-1-carboxylate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(phenanthren-9-ylmethyl)amino]ethyl 4-(2-cyanophenyl)piperazine-1-carboxylate Openeye Name: 2-[tert-butoxycarbonyl(9-phenanthrylmethyl)amino]ethyl 4-(2-cyanophenyl)piperazine-1-carboxylate CAS Name: 4-(2-cyanophenyl)-1-piperazinecarboxylic acid 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(9-phenanthrenylmethyl)amino]ethyl ester IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(phenanthren-9-ylmethyl)amino]ethyl 4-(2-cyanophenyl)piperazine-1-carboxylate Traditional Name: 4-(2-cyanophenyl)piperazine-1-carboxylic acid 2-[tert-butoxycarbonyl(9-phenanthrylmethyl)amino]ethyl ester Formula: C34H36N4O4 MolecularWeight: 564.67404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCOC(=O)N1CCN(CC1)C2=CC=CC=C2C#N)CC3=CC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC(C)(C)OC(=O)N(CCOC(=O)N1CCN(CC1)C2=CC=CC=C2C#N)CC3=CC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C34H36N4O4/c1-34(2,3)42-33(40)38(24-27-22-25-10-4-6-12-28(25)30-14-8-7-13-29(27)30)20-21-41-32(39)37-18-16-36(17-19-37)31-15-9-5-11-26(31)23-35/h4-15,22H,16-21,24H2,1-3H3