2-[cyclohexylmethyl(pyridin-3-ylmethyl)amino]-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-[cyclohexylmethyl(pyridin-3-ylmethyl)amino]-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-[cyclohexylmethyl(3-pyridylmethyl)amino]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetic acid CAS Name: 2-[cyclohexylmethyl(3-pyridinylmethyl)amino]-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid IUPAC Name: 2-[cyclohexylmethyl(pyridin-3-ylmethyl)amino]-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid Traditional Name: 2-[cyclohexylmethyl(3-pyridylmethyl)amino]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetic acid Formula: C29H42N2O3 MolecularWeight: 466.65538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)N(CC2CCCCC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)N(CC2CCCCC2)CC3=CN=CC=C3

InChI

InChI=1S/C29H42N2O3/c1-28(2,3)23-15-22(16-24(26(23)32)29(4,5)6)25(27(33)34)31(18-20-11-8-7-9-12-20)19-21-13-10-14-30-17-21/h10,13-17,20,25,32H,7-9,11-12,18-19H2,1-6H3,(H,33,34)