[2-azanyl-1-(4-cyanophenyl)-3,5,5-trimethyl-3-oxidanyl-heptan-2-yl]carbamic acid

Systemtic Name: [2-azanyl-1-(4-cyanophenyl)-3,5,5-trimethyl-3-oxidanyl-heptan-2-yl]carbamic acid Openeye Name: [1-amino-1-[(4-cyanophenyl)methyl]-2-hydroxy-2,4,4-trimethyl-hexyl]carbamic acid CAS Name: [2-amino-1-(4-cyanophenyl)-3-hydroxy-3,5,5-trimethylheptan-2-yl]carbamic acid IUPAC Name: [2-amino-1-(4-cyanophenyl)-3-hydroxy-3,5,5-trimethylheptan-2-yl]carbamic acid Traditional Name: [1-amino-1-(4-cyanobenzyl)-2-hydroxy-2,4,4-trimethyl-hexyl]carbamic acid Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC(C)(C(CC1=CC=C(C=C1)C#N)(N)NC(=O)O)O

Isomeric SMILES

CCC(C)(C)CC(C)(C(CC1=CC=C(C=C1)C#N)(N)NC(=O)O)O

InChI

InChI=1S/C18H27N3O3/c1-5-16(2,3)12-17(4,24)18(20,21-15(22)23)10-13-6-8-14(11-19)9-7-13/h6-9,21,24H,5,10,12,20H2,1-4H3,(H,22,23)