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

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(phenanthren-9-ylmethyl)amino]ethyl 4-(4-ethoxyphenyl)piperazine-1-carboxylate Openeye Name: 2-[tert-butoxycarbonyl(9-phenanthrylmethyl)amino]ethyl 4-(4-ethoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(4-ethoxyphenyl)-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-ethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-p-phenetylpiperazine-1-carboxylic acid 2-[tert-butoxycarbonyl(9-phenanthrylmethyl)amino]ethyl ester Formula: C35H41N3O5 MolecularWeight: 583.71714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CCN(CC2)C(=O)OCCN(CC3=CC4=CC=CC=C4C5=CC=CC=C53)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CCN(CC2)C(=O)OCCN(CC3=CC4=CC=CC=C4C5=CC=CC=C53)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H41N3O5/c1-5-41-29-16-14-28(15-17-29)36-18-20-37(21-19-36)33(39)42-23-22-38(34(40)43-35(2,3)4)25-27-24-26-10-6-7-11-30(26)32-13-9-8-12-31(27)32/h6-17,24H,5,18-23,25H2,1-4H3