2-tert-butyl-4-[[2-[(3-chlorophenyl)methyl]-4-methyl-phenyl]amino]piperidine-1-carboxylic acid

Systemtic Name: 2-tert-butyl-4-[[2-[(3-chlorophenyl)methyl]-4-methyl-phenyl]amino]piperidine-1-carboxylic acid Openeye Name: 2-tert-butyl-4-[2-[(3-chlorophenyl)methyl]-4-methyl-anilino]piperidine-1-carboxylic acid CAS Name: 2-tert-butyl-4-[2-[(3-chlorophenyl)methyl]-4-methylanilino]-1-piperidinecarboxylic acid IUPAC Name: 2-tert-butyl-4-[2-[(3-chlorophenyl)methyl]-4-methylanilino]piperidine-1-carboxylic acid Traditional Name: 2-tert-butyl-4-[2-(3-chlorobenzyl)-4-methyl-anilino]piperidine-1-carboxylic acid Formula: C24H31ClN2O2 MolecularWeight: 414.96814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2CCN(C(C2)C(C)(C)C)C(=O)O)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC2CCN(C(C2)C(C)(C)C)C(=O)O)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H31ClN2O2/c1-16-8-9-21(18(12-16)13-17-6-5-7-19(25)14-17)26-20-10-11-27(23(28)29)22(15-20)24(2,3)4/h5-9,12,14,20,22,26H,10-11,13,15H2,1-4H3,(H,28,29)