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

Systemtic Name: methyl 2-(4-bromophenyl)-5-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-propan-2-yl-pentanoate Openeye Name: methyl 2-(4-bromophenyl)-2-isopropyl-5-[4-(p-tolylmethyl)piperazin-1-yl]pentanoate CAS Name: 2-(4-bromophenyl)-5-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-5-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-propan-2-ylpentanoate Traditional Name: 2-(4-bromophenyl)-2-isopropyl-5-[4-(4-methylbenzyl)piperazino]valeric acid methyl ester Formula: C27H37BrN2O2 MolecularWeight: 501.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)CCCC(C3=CC=C(C=C3)Br)(C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)CCCC(C3=CC=C(C=C3)Br)(C(C)C)C(=O)OC

InChI

InChI=1S/C27H37BrN2O2/c1-21(2)27(26(31)32-4,24-10-12-25(28)13-11-24)14-5-15-29-16-18-30(19-17-29)20-23-8-6-22(3)7-9-23/h6-13,21H,5,14-20H2,1-4H3