N-cyclooctyl-2-[(4-ethoxy-3-methoxy-phenyl)methyl]-3-oxidanylidene-1H-isoindole-1-carboxamide

Systemtic Name: N-cyclooctyl-2-[(4-ethoxy-3-methoxy-phenyl)methyl]-3-oxidanylidene-1H-isoindole-1-carboxamide Openeye Name: N-cyclooctyl-2-[(4-ethoxy-3-methoxy-phenyl)methyl]-3-oxo-isoindoline-1-carboxamide CAS Name: N-cyclooctyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide IUPAC Name: N-cyclooctyl-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide Traditional Name: N-cyclooctyl-2-(4-ethoxy-3-methoxy-benzyl)-3-keto-isoindoline-1-carboxamide Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NC4CCCCCCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NC4CCCCCCC4)OC

InChI

InChI=1S/C27H34N2O4/c1-3-33-23-16-15-19(17-24(23)32-2)18-29-25(21-13-9-10-14-22(21)27(29)31)26(30)28-20-11-7-5-4-6-8-12-20/h9-10,13-17,20,25H,3-8,11-12,18H2,1-2H3,(H,28,30)