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

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(phenanthren-9-ylmethyl)amino]ethyl 4-[(4-prop-2-enoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: 2-[tert-butoxycarbonyl(9-phenanthrylmethyl)amino]ethyl 4-[(4-allyloxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-prop-2-enoxyphenyl)methyl]-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-[(4-prop-2-enoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(4-allyloxybenzyl)piperazine-1-carboxylic acid 2-[tert-butoxycarbonyl(9-phenanthrylmethyl)amino]ethyl ester Formula: C37H43N3O5 MolecularWeight: 609.75442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OCC=C)CC3=CC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC(C)(C)OC(=O)N(CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OCC=C)CC3=CC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C37H43N3O5/c1-5-23-43-31-16-14-28(15-17-31)26-38-18-20-39(21-19-38)35(41)44-24-22-40(36(42)45-37(2,3)4)27-30-25-29-10-6-7-11-32(29)34-13-9-8-12-33(30)34/h5-17,25H,1,18-24,26-27H2,2-4H3