4-[[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-2-(methylamino)-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 4-[[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-2-(methylamino)-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 4-benzyl-5-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]-2-(methylamino)-3-oxo-pentanoic acid CAS Name: 4-[[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-2-(methylamino)-3-oxo-5-phenylpentanoic acid IUPAC Name: 4-benzyl-5-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-(methylamino)-3-oxopentanoic acid Traditional Name: 4-benzyl-5-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]-3-keto-2-(methylamino)valeric acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)C(C(=O)O)NC

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)C(C(=O)O)NC

InChI

InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,2)21-10-7-11-22(29)15-21)17-20(14-19-8-5-4-6-9-19)24(30)23(27-3)25(31)32/h4-11,15,18,20,23,27,29H,12-14,16-17H2,1-3H3,(H,31,32)