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

Systemtic Name: methyl 2-[3-chloranyl-4-[(4-phenoxy-2-propyl-phenoxy)-propyl-amino]phenyl]ethanoate Openeye Name: methyl 2-[3-chloro-4-[(4-phenoxy-2-propyl-phenoxy)-propyl-amino]phenyl]acetate CAS Name: 2-[3-chloro-4-[(4-phenoxy-2-propylphenoxy)-propylamino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-chloro-4-[(4-phenoxy-2-propylphenoxy)-propylamino]phenyl]acetate Traditional Name: 2-[3-chloro-4-[(4-phenoxy-2-propyl-phenoxy)-propyl-amino]phenyl]acetic acid methyl ester Formula: C27H30ClNO4 MolecularWeight: 467.9844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClNO4/c1-4-9-21-19-23(32-22-10-7-6-8-11-22)13-15-26(21)33-29(16-5-2)25-14-12-20(17-24(25)28)18-27(30)31-3/h6-8,10-15,17,19H,4-5,9,16,18H2,1-3H3