4-azanyl-2-tert-butyl-3-[[methyl-(4-methyl-2-oxidanyl-pentanoyl)amino]methyl]benzoic acid

Systemtic Name: 4-azanyl-2-tert-butyl-3-[[methyl-(4-methyl-2-oxidanyl-pentanoyl)amino]methyl]benzoic acid Openeye Name: 4-amino-2-tert-butyl-3-[[(2-hydroxy-4-methyl-pentanoyl)-methyl-amino]methyl]benzoic acid CAS Name: 4-amino-2-tert-butyl-3-[[(2-hydroxy-4-methyl-1-oxopentyl)-methylamino]methyl]benzoic acid IUPAC Name: 4-amino-2-tert-butyl-3-[[(2-hydroxy-4-methylpentanoyl)-methylamino]methyl]benzoic acid Traditional Name: 4-amino-2-tert-butyl-3-[[(2-hydroxy-4-methyl-pentanoyl)-methyl-amino]methyl]benzoic acid Formula: C19H30N2O4 MolecularWeight: 350.4525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)CC1=C(C=CC(=C1C(C)(C)C)C(=O)O)N)O

Isomeric SMILES

CC(C)CC(C(=O)N(C)CC1=C(C=CC(=C1C(C)(C)C)C(=O)O)N)O

InChI

InChI=1S/C19H30N2O4/c1-11(2)9-15(22)17(23)21(6)10-13-14(20)8-7-12(18(24)25)16(13)19(3,4)5/h7-8,11,15,22H,9-10,20H2,1-6H3,(H,24,25)