methyl 4-[4-[1-(1-phenylethylamino)propyl]phenoxy]butanoate hydrochloride

Systemtic Name: methyl 4-[4-[1-(1-phenylethylamino)propyl]phenoxy]butanoate hydrochloride Openeye Name: methyl 4-[4-[1-(1-phenylethylamino)propyl]phenoxy]butanoate hydrochloride CAS Name: 4-[4-[1-(1-phenylethylamino)propyl]phenoxy]butanoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[4-[1-(1-phenylethylamino)propyl]phenoxy]butanoate hydrochloride Traditional Name: 4-[4-[1-(1-phenylethylamino)propyl]phenoxy]butyric acid methyl ester hydrochloride Formula: C22H30ClNO3 MolecularWeight: 391.9315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OCCCC(=O)OC)NC(C)C2=CC=CC=C2.Cl

Isomeric SMILES

CCC(C1=CC=C(C=C1)OCCCC(=O)OC)NC(C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C22H29NO3.ClH/c1-4-21(23-17(2)18-9-6-5-7-10-18)19-12-14-20(15-13-19)26-16-8-11-22(24)25-3;/h5-7,9-10,12-15,17,21,23H,4,8,11,16H2,1-3H3;1H