methyl 2-(3-bromophenyl)-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanoate

Systemtic Name: methyl 2-(3-bromophenyl)-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanoate Openeye Name: methyl 2-(3-bromophenyl)-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-isopropyl-pentanoate CAS Name: 2-(3-bromophenyl)-5-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-(3-bromophenyl)-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-propan-2-ylpentanoate Traditional Name: 2-(3-bromophenyl)-5-[4-(4-fluorobenzyl)piperazino]-2-isopropyl-valeric acid methyl ester Formula: C26H34BrFN2O2 MolecularWeight: 505.462763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34BrFN2O2/c1-20(2)26(25(31)32-3,22-6-4-7-23(27)18-22)12-5-13-29-14-16-30(17-15-29)19-21-8-10-24(28)11-9-21/h4,6-11,18,20H,5,12-17,19H2,1-3H3