tert-butyl 4-[[4-(2-ethylbutanoyl)phenyl]-phenyl-methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(2-ethylbutanoyl)phenyl]-phenyl-methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-ethylbutanoyl)phenyl]-phenyl-methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(2-ethyl-1-oxobutyl)phenyl]-phenylmethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-ethylbutanoyl)phenyl]-phenylmethyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(2-ethylbutanoyl)phenyl]-phenyl-methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H38N2O3/c1-6-21(7-2)26(31)24-15-13-23(14-16-24)25(22-11-9-8-10-12-22)29-17-19-30(20-18-29)27(32)33-28(3,4)5/h8-16,21,25H,6-7,17-20H2,1-5H3