2-[[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonyl-4-methoxy-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonyl-4-methoxy-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methoxy-benzyl]isoindoline-1,3-quinone Formula: C29H25N3O5 MolecularWeight: 495.5259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C29H25N3O5/c1-36-24-11-10-18(17-32-28(34)20-6-2-3-7-21(20)29(32)35)16-22(24)27(33)31-14-12-19(13-15-31)26-30-23-8-4-5-9-25(23)37-26/h2-11,16,19H,12-15,17H2,1H3