methyl 2-[4-[4-[(4-tert-butylphenyl)carbonylamino]phenyl]piperazin-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-[4-[(4-tert-butylphenyl)carbonylamino]phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-[(4-tert-butylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-[(4-tert-butylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[4-[(4-tert-butylbenzoyl)amino]phenyl]piperazino]-2-phenyl-acetic acid methyl ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C30H35N3O3/c1-30(2,3)24-12-10-23(11-13-24)28(34)31-25-14-16-26(17-15-25)32-18-20-33(21-19-32)27(29(35)36-4)22-8-6-5-7-9-22/h5-17,27H,18-21H2,1-4H3,(H,31,34)