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

Systemtic Name: methyl 2-(4-bromophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-propan-2-yl-pentanoate Openeye Name: methyl 2-(4-bromophenyl)-2-isopropyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]pentanoate CAS Name: 2-(4-bromophenyl)-5-[4-(4-methoxyphenyl)-1-piperazinyl]-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-propan-2-ylpentanoate Traditional Name: 2-(4-bromophenyl)-2-isopropyl-5-[4-(4-methoxyphenyl)piperazino]valeric acid methyl ester Formula: C26H35BrN2O3 MolecularWeight: 503.4717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrN2O3/c1-20(2)26(25(30)32-4,21-6-8-22(27)9-7-21)14-5-15-28-16-18-29(19-17-28)23-10-12-24(31-3)13-11-23/h6-13,20H,5,14-19H2,1-4H3