methyl 2-[3-chloranyl-4-[4-(4-phenoxy-2-propyl-phenoxy)butoxy]phenyl]ethanoate

Systemtic Name: methyl 2-[3-chloranyl-4-[4-(4-phenoxy-2-propyl-phenoxy)butoxy]phenyl]ethanoate Openeye Name: methyl 2-[3-chloro-4-[4-(4-phenoxy-2-propyl-phenoxy)butoxy]phenyl]acetate CAS Name: 2-[3-chloro-4-[4-(4-phenoxy-2-propylphenoxy)butoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-chloro-4-[4-(4-phenoxy-2-propylphenoxy)butoxy]phenyl]acetate Traditional Name: 2-[3-chloro-4-[4-(4-phenoxy-2-propyl-phenoxy)butoxy]phenyl]acetic acid methyl ester Formula: C28H31ClO5 MolecularWeight: 482.99574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCCOC3=C(C=C(C=C3)CC(=O)OC)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCCOC3=C(C=C(C=C3)CC(=O)OC)Cl

InChI

InChI=1S/C28H31ClO5/c1-3-9-22-20-24(34-23-10-5-4-6-11-23)13-15-26(22)32-16-7-8-17-33-27-14-12-21(18-25(27)29)19-28(30)31-2/h4-6,10-15,18,20H,3,7-9,16-17,19H2,1-2H3