2-[1-(3-ethoxy-4-methoxy-phenyl)-3-(oxidanylamino)propyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-(oxidanylamino)propyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxyamino)propyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-(hydroxyamino)propyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-(hydroxyamino)propyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxyamino)propyl]-3-keto-3a,7a-dihydro-1H-isoindole-1-carboxamide Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CCNO)N2C(C3C=CC=CC3C2=O)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CCNO)N2C(C3C=CC=CC3C2=O)C(=O)N)OC

InChI

InChI=1S/C21H27N3O5/c1-3-29-18-12-13(8-9-17(18)28-2)16(10-11-23-27)24-19(20(22)25)14-6-4-5-7-15(14)21(24)26/h4-9,12,14-16,19,23,27H,3,10-11H2,1-2H3,(H2,22,25)