5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-N-prop-2-ynyl-benzamide

Systemtic Name: 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-N-prop-2-ynyl-benzamide Openeye Name: 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-ethoxy-N-prop-2-ynyl-benzamide CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-ethoxy-N-prop-2-ynylbenzamide IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-prop-2-ynylbenzamide Traditional Name: 2-ethoxy-5-(phthalimidomethyl)-N-propargyl-benzamide Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NCC#C

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NCC#C

InChI

InChI=1S/C21H18N2O4/c1-3-11-22-19(24)17-12-14(9-10-18(17)27-4-2)13-23-20(25)15-7-5-6-8-16(15)21(23)26/h1,5-10,12H,4,11,13H2,2H3,(H,22,24)