methyl 2-(4-bromophenyl)-5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanoate

Systemtic Name: methyl 2-(4-bromophenyl)-5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanoate Openeye Name: methyl 2-(4-bromophenyl)-5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-isopropyl-pentanoate CAS Name: 2-(4-bromophenyl)-5-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-propan-2-ylpentanoate Traditional Name: 2-(4-bromophenyl)-5-[4-(4-chlorobenzyl)piperazino]-2-isopropyl-valeric acid methyl ester Formula: C26H34BrClN2O2 MolecularWeight: 521.91736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C26H34BrClN2O2/c1-20(2)26(25(31)32-3,22-7-9-23(27)10-8-22)13-4-14-29-15-17-30(18-16-29)19-21-5-11-24(28)12-6-21/h5-12,20H,4,13-19H2,1-3H3