1-(4-butanoyl-4-phenyl-piperidin-1-yl)-2-(4-chloranylphenoxy)-2-methyl-propan-1-one

Systemtic Name: 1-(4-butanoyl-4-phenyl-piperidin-1-yl)-2-(4-chloranylphenoxy)-2-methyl-propan-1-one Openeye Name: 1-(4-butanoyl-4-phenyl-1-piperidyl)-2-(4-chlorophenoxy)-2-methyl-propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(1-oxobutyl)-4-phenyl-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-butanoyl-4-phenylpiperidin-1-yl)-2-(4-chlorophenoxy)-2-methylpropan-1-one Traditional Name: 1-(4-butyryl-4-phenyl-piperidino)-2-(4-chlorophenoxy)-2-methyl-propan-1-one Formula: C25H30ClNO3 MolecularWeight: 427.9636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CCN(CC1)C(=O)C(C)(C)OC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1(CCN(CC1)C(=O)C(C)(C)OC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C25H30ClNO3/c1-4-8-22(28)25(19-9-6-5-7-10-19)15-17-27(18-16-25)23(29)24(2,3)30-21-13-11-20(26)12-14-21/h5-7,9-14H,4,8,15-18H2,1-3H3