2-(4-azanyl-2-propyl-phenoxy)-2-(1,3-benzodioxol-5-yl)ethanoate

Systemtic Name: 2-(4-azanyl-2-propyl-phenoxy)-2-(1,3-benzodioxol-5-yl)ethanoate Openeye Name: 2-(4-amino-2-propyl-phenoxy)-2-(1,3-benzodioxol-5-yl)acetate CAS Name: 2-(4-amino-2-propylphenoxy)-2-(1,3-benzodioxol-5-yl)acetate IUPAC Name: 2-(4-amino-2-propylphenoxy)-2-(1,3-benzodioxol-5-yl)acetate Traditional Name: 2-(4-amino-2-propyl-phenoxy)-2-(1,3-benzodioxol-5-yl)acetate Formula: C18H18NO5- MolecularWeight: 328.33922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)N)OC(C2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1)N)OC(C2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C18H19NO5/c1-2-3-11-8-13(19)5-7-14(11)24-17(18(20)21)12-4-6-15-16(9-12)23-10-22-15/h4-9,17H,2-3,10,19H2,1H3,(H,20,21)/p-1