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

Systemtic Name: methyl 2-(4-bromophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-propan-2-yl-pentanoate Openeye Name: methyl 2-(4-bromophenyl)-2-isopropyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pentanoate CAS Name: 2-(4-bromophenyl)-5-[4-(3-methoxyphenyl)-1-piperazinyl]-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-propan-2-ylpentanoate Traditional Name: 2-(4-bromophenyl)-2-isopropyl-5-[4-(3-methoxyphenyl)piperazino]valeric acid methyl ester Formula: C26H35BrN2O3 MolecularWeight: 503.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrN2O3/c1-20(2)26(25(30)32-4,21-9-11-22(27)12-10-21)13-6-14-28-15-17-29(18-16-28)23-7-5-8-24(19-23)31-3/h5,7-12,19-20H,6,13-18H2,1-4H3