3-ethyl-2-methyl-6-phenyl-4-(1-phenylethyl)-5-(phenylmethyl)piperidine-3,5-dicarboxylic acid

Systemtic Name: 3-ethyl-2-methyl-6-phenyl-4-(1-phenylethyl)-5-(phenylmethyl)piperidine-3,5-dicarboxylic acid Openeye Name: 5-benzyl-3-ethyl-2-methyl-6-phenyl-4-(1-phenylethyl)piperidine-3,5-dicarboxylic acid CAS Name: 3-ethyl-2-methyl-6-phenyl-4-(1-phenylethyl)-5-(phenylmethyl)piperidine-3,5-dicarboxylic acid IUPAC Name: 5-benzyl-3-ethyl-2-methyl-6-phenyl-4-(1-phenylethyl)piperidine-3,5-dicarboxylic acid Traditional Name: 5-benzyl-3-ethyl-2-methyl-6-phenyl-4-(1-phenylethyl)piperidine-3,5-dicarboxylic acid Formula: C31H35NO4 MolecularWeight: 485.6139

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(NC(C(C1C(C)C2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CCC1(C(NC(C(C1C(C)C2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C31H35NO4/c1-4-30(28(33)34)22(3)32-27(25-18-12-7-13-19-25)31(29(35)36,20-23-14-8-5-9-15-23)26(30)21(2)24-16-10-6-11-17-24/h5-19,21-22,26-27,32H,4,20H2,1-3H3,(H,33,34)(H,35,36)