2-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methoxycarbonyl-2-propyl-phenoxy)ethanoic acid

Systemtic Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methoxycarbonyl-2-propyl-phenoxy)ethanoic acid Openeye Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methoxycarbonyl-2-propyl-phenoxy)acetic acid CAS Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methoxycarbonyl-2-propylphenoxy)acetic acid IUPAC Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-methoxycarbonyl-2-propylphenoxy)acetic acid Traditional Name: 2-(4-carbomethoxy-2-propyl-phenoxy)-2-(7-methoxy-1,3-benzodioxol-5-yl)acetic acid Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C(=C2)OC)OCO3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OC(C2=CC3=C(C(=C2)OC)OCO3)C(=O)O

InChI

InChI=1S/C21H22O8/c1-4-5-12-8-13(21(24)26-3)6-7-15(12)29-18(20(22)23)14-9-16(25-2)19-17(10-14)27-11-28-19/h6-10,18H,4-5,11H2,1-3H3,(H,22,23)