[1,3-bis(oxidanylidene)-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindol-4-yl] ethanoate hydrochloride

Systemtic Name: [1,3-bis(oxidanylidene)-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindol-4-yl] ethanoate hydrochloride Openeye Name: [2-[3-[4-(2-isopropoxyphenyl)piperazin-1-yl]propyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate hydrochloride CAS Name: acetic acid [1,3-dioxo-2-[3-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]-3a,4,7,7a-tetrahydroisoindol-4-yl] ester hydrochloride IUPAC Name: [1,3-dioxo-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate hydrochloride Traditional Name: acetic acid [2-[3-[4-(2-isopropoxyphenyl)piperazino]propyl]-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-4-yl] ester hydrochloride Formula: C26H36ClN3O5 MolecularWeight: 506.03414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC=CC(C4C3=O)OC(=O)C.Cl

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC=CC(C4C3=O)OC(=O)C.Cl

InChI

InChI=1S/C26H35N3O5.ClH/c1-18(2)33-22-10-5-4-9-21(22)28-16-14-27(15-17-28)12-7-13-29-25(31)20-8-6-11-23(34-19(3)30)24(20)26(29)32;/h4-6,9-11,18,20,23-24H,7-8,12-17H2,1-3H3;1H