tert-butyl 4-[2-[3-aminocarbonyl-2-(4-methylphenyl)phenoxy]hexanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-aminocarbonyl-2-(4-methylphenyl)phenoxy]hexanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-carbamoyl-2-(p-tolyl)phenoxy]hexanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-carbamoyl-2-(4-methylphenyl)phenoxy]-1-oxohexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-carbamoyl-2-(4-methylphenyl)phenoxy]hexanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-carbamoyl-2-(p-tolyl)phenoxy]hexanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)OC2=CC=CC(=C2C3=CC=C(C=C3)C)C(=O)N

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)OC2=CC=CC(=C2C3=CC=C(C=C3)C)C(=O)N

InChI

InChI=1S/C29H39N3O5/c1-6-7-10-24(27(34)31-16-18-32(19-17-31)28(35)37-29(3,4)5)36-23-11-8-9-22(26(30)33)25(23)21-14-12-20(2)13-15-21/h8-9,11-15,24H,6-7,10,16-19H2,1-5H3,(H2,30,33)