(phenylmethyl) 2-[2-azanyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-azanyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperazine-1-carboxylate Openeye Name: benzyl 2-[2-amino-3-(4-tert-butoxyphenyl)propanoyl]piperazine-1-carboxylate CAS Name: 2-[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]piperazine-1-carboxylate Traditional Name: 2-[2-amino-3-(4-tert-butoxyphenyl)propanoyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)C2CNCCN2C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)C2CNCCN2C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C25H33N3O4/c1-25(2,3)32-20-11-9-18(10-12-20)15-21(26)23(29)22-16-27-13-14-28(22)24(30)31-17-19-7-5-4-6-8-19/h4-12,21-22,27H,13-17,26H2,1-3H3