2-[2-(4-aminophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[2-(4-aminophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one hydrochloride Openeye Name: 2-[2-(4-aminophenyl)ethyl]-4,5-dipentoxy-isoindolin-1-one hydrochloride CAS Name: 2-[2-(4-aminophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[2-(4-aminophenyl)ethyl]-4,5-dipentoxy-3H-isoindol-1-one hydrochloride Traditional Name: 2-[2-(4-aminophenyl)ethyl]-4,5-diamoxy-isoindolin-1-one hydrochloride Formula: C26H37ClN2O3 MolecularWeight: 461.03658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C=C1)C(=O)N(C2)CCC3=CC=C(C=C3)N)OCCCCC.Cl

Isomeric SMILES

CCCCCOC1=C(C2=C(C=C1)C(=O)N(C2)CCC3=CC=C(C=C3)N)OCCCCC.Cl

InChI

InChI=1S/C26H36N2O3.ClH/c1-3-5-7-17-30-24-14-13-22-23(25(24)31-18-8-6-4-2)19-28(26(22)29)16-15-20-9-11-21(27)12-10-20;/h9-14H,3-8,15-19,27H2,1-2H3;1H