methyl 2-phenyl-2-[4-[4-(3-phenylpropanoylamino)phenyl]piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-phenyl-2-[4-[4-(3-phenylpropanoylamino)phenyl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-phenyl-2-[4-[4-(3-phenylpropanoylamino)phenyl]piperazin-1-yl]acetate CAS Name: 2-[4-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-phenyl-2-[4-[4-(3-phenylpropanoylamino)phenyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[4-(hydrocinnamoylamino)phenyl]piperazino]-2-phenyl-acetic acid methyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c1-34-28(33)27(23-10-6-3-7-11-23)31-20-18-30(19-21-31)25-15-13-24(14-16-25)29-26(32)17-12-22-8-4-2-5-9-22/h2-11,13-16,27H,12,17-21H2,1H3,(H,29,32)