N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-1,3-diketo-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]isoindoline-5-carboxamide Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C29H29N3O4/c1-36-23-11-7-10-21(16-23)26(31-14-5-6-15-31)18-30-27(33)22-12-13-24-25(17-22)29(35)32(28(24)34)19-20-8-3-2-4-9-20/h2-4,7-13,16-17,26H,5-6,14-15,18-19H2,1H3,(H,30,33)