methyl 2-(4-bromophenyl)-5-(4-phenylpiperazin-1-yl)-2-propan-2-yl-pentanoate

Systemtic Name: methyl 2-(4-bromophenyl)-5-(4-phenylpiperazin-1-yl)-2-propan-2-yl-pentanoate Openeye Name: methyl 2-(4-bromophenyl)-2-isopropyl-5-(4-phenylpiperazin-1-yl)pentanoate CAS Name: 2-(4-bromophenyl)-5-(4-phenyl-1-piperazinyl)-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-5-(4-phenylpiperazin-1-yl)-2-propan-2-ylpentanoate Traditional Name: 2-(4-bromophenyl)-2-isopropyl-5-(4-phenylpiperazino)valeric acid methyl ester Formula: C25H33BrN2O2 MolecularWeight: 473.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=CC=CC=C2)(C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=CC=CC=C2)(C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C25H33BrN2O2/c1-20(2)25(24(29)30-3,21-10-12-22(26)13-11-21)14-7-15-27-16-18-28(19-17-27)23-8-5-4-6-9-23/h4-6,8-13,20H,7,14-19H2,1-3H3