[4-[2-methylpropanoyl(phenyl)amino]-1-phenethyl-piperidin-4-yl]methyl 2-methylpropanoate

Systemtic Name: [4-[2-methylpropanoyl(phenyl)amino]-1-phenethyl-piperidin-4-yl]methyl 2-methylpropanoate Openeye Name: [4-[N-(2-methylpropanoyl)anilino]-1-phenethyl-4-piperidyl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-(N-(2-methyl-1-oxopropyl)anilino)-1-phenethyl-4-piperidinyl]methyl ester IUPAC Name: [4-[N-(2-methylpropanoyl)anilino]-1-phenethylpiperidin-4-yl]methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-(N-isobutyrylanilino)-1-phenethyl-4-piperidyl]methyl ester Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)COC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)COC(=O)C(C)C

InChI

InChI=1S/C28H38N2O3/c1-22(2)26(31)30(25-13-9-6-10-14-25)28(21-33-27(32)23(3)4)16-19-29(20-17-28)18-15-24-11-7-5-8-12-24/h5-14,22-23H,15-21H2,1-4H3