2-[4-[(4-acetamidophenyl)methyl]piperazin-1-yl]ethyl 4-phenethylpiperazine-1-carboxylate

Systemtic Name: 2-[4-[(4-acetamidophenyl)methyl]piperazin-1-yl]ethyl 4-phenethylpiperazine-1-carboxylate Openeye Name: 2-[4-[(4-acetamidophenyl)methyl]piperazin-1-yl]ethyl 4-phenethylpiperazine-1-carboxylate CAS Name: 4-phenethyl-1-piperazinecarboxylic acid 2-[4-[(4-acetamidophenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(4-acetamidophenyl)methyl]piperazin-1-yl]ethyl 4-phenethylpiperazine-1-carboxylate Traditional Name: 4-phenethylpiperazine-1-carboxylic acid 2-[4-(4-acetamidobenzyl)piperazino]ethyl ester Formula: C28H39N5O3 MolecularWeight: 493.64096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H39N5O3/c1-24(34)29-27-9-7-26(8-10-27)23-32-15-13-31(14-16-32)21-22-36-28(35)33-19-17-30(18-20-33)12-11-25-5-3-2-4-6-25/h2-10H,11-23H2,1H3,(H,29,34)