[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetate CAS Name: 2-(6-methyl-5-propan-2-yl-3-benzofuranyl)acetic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C26H29N3O6/c1-17(2)22-14-23-19(15-34-24(23)12-18(22)3)13-26(31)35-16-25(30)28-10-8-27(9-11-28)20-4-6-21(7-5-20)29(32)33/h4-7,12,14-15,17H,8-11,13,16H2,1-3H3