(4-methylphenyl) 5-[di(propan-2-yl)amino]-2-ethyl-3-phenyl-pentanoate hydrochloride

Systemtic Name: (4-methylphenyl) 5-[di(propan-2-yl)amino]-2-ethyl-3-phenyl-pentanoate hydrochloride Openeye Name: p-tolyl 5-(diisopropylamino)-2-ethyl-3-phenyl-pentanoate hydrochloride CAS Name: 5-[di(propan-2-yl)amino]-2-ethyl-3-phenylpentanoic acid (4-methylphenyl) ester hydrochloride IUPAC Name: (4-methylphenyl) 5-[di(propan-2-yl)amino]-2-ethyl-3-phenylpentanoate hydrochloride Traditional Name: 5-(diisopropylamino)-2-ethyl-3-phenyl-valeric acid p-tolyl ester hydrochloride Formula: C26H38ClNO2 MolecularWeight: 432.03842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCN(C(C)C)C(C)C)C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C.Cl

Isomeric SMILES

CCC(C(CCN(C(C)C)C(C)C)C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C.Cl

InChI

InChI=1S/C26H37NO2.ClH/c1-7-24(26(28)29-23-15-13-21(6)14-16-23)25(22-11-9-8-10-12-22)17-18-27(19(2)3)20(4)5;/h8-16,19-20,24-25H,7,17-18H2,1-6H3;1H