3-[3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]propanoate

Systemtic Name: 3-[3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]propanoate Openeye Name: 3-[3-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]propanoate CAS Name: 3-[3-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]propanoate Traditional Name: 3-[3-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]propionate Formula: C21H25O4- MolecularWeight: 341.4208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCOC2=CC=CC(=C2)CCC(=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC2=CC=CC(=C2)CCC(=O)[O-])C(C)C

InChI

InChI=1S/C21H26O4/c1-15(2)20-9-8-19(13-16(20)3)25-12-11-24-18-6-4-5-17(14-18)7-10-21(22)23/h4-6,8-9,13-15H,7,10-12H2,1-3H3,(H,22,23)/p-1