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

Systemtic Name: 2-[3-azanyl-1-(3-ethoxy-4-methoxy-phenyl)propyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide Openeye Name: 2-[3-amino-1-(3-ethoxy-4-methoxy-phenyl)propyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide CAS Name: 2-[3-amino-1-(3-ethoxy-4-methoxyphenyl)propyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide IUPAC Name: 2-[3-amino-1-(3-ethoxy-4-methoxyphenyl)propyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide Traditional Name: 2-[3-amino-1-(3-ethoxy-4-methoxy-phenyl)propyl]-3-keto-3a,7a-dihydro-1H-isoindole-1-carboxamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-3-28-18-12-13(8-9-17(18)27-2)16(10-11-22)24-19(20(23)25)14-6-4-5-7-15(14)21(24)26/h4-9,12,14-16,19H,3,10-11,22H2,1-2H3,(H2,23,25)