[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-yl] nitrite

Systemtic Name: [1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-yl] nitrite Openeye Name: [1-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-(3-methylphenoxy)ethyl] nitrite CAS Name: nitrous acid [1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-yl] ester IUPAC Name: [1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-yl] nitrite Traditional Name: nitrous acid [1-[(homoveratrylamino)methyl]-2-(3-methylphenoxy)ethyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)ON=O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)ON=O

InChI

InChI=1S/C20H26N2O5/c1-15-5-4-6-17(11-15)26-14-18(27-22-23)13-21-10-9-16-7-8-19(24-2)20(12-16)25-3/h4-8,11-12,18,21H,9-10,13-14H2,1-3H3