[5-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]anthracen-1-yl] (E)-4-(phenethylamino)but-2-enoate

Systemtic Name: [5-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]anthracen-1-yl] (E)-4-(phenethylamino)but-2-enoate Openeye Name: [5-[benzyloxycarbonyl(tert-butoxycarbonyl)amino]-1-anthryl] (E)-4-(phenethylamino)but-2-enoate CAS Name: (E)-4-(phenethylamino)-2-butenoic acid [5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxycarbonylamino]-1-anthracenyl] ester IUPAC Name: [5-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]anthracen-1-yl] (E)-4-(phenethylamino)but-2-enoate Traditional Name: (E)-4-(phenethylamino)but-2-enoic acid [5-[tert-butoxycarbonyl(carbobenzoxy)amino]-1-anthryl] ester Formula: C39H38N2O6 MolecularWeight: 630.72882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=CC2=C1C=C3C=CC=C(C3=C2)OC(=O)C=CCNCCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=CC2=C1C=C3C=CC=C(C3=C2)OC(=O)/C=C/CNCCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C39H38N2O6/c1-39(2,3)47-38(44)41(37(43)45-27-29-15-8-5-9-16-29)34-19-10-17-30-26-33-31(25-32(30)34)18-11-20-35(33)46-36(42)21-12-23-40-24-22-28-13-6-4-7-14-28/h4-21,25-26,40H,22-24,27H2,1-3H3/b21-12+