2-[(4-imidazol-1-ylphenyl)methylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(4-imidazol-1-ylphenyl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(4-imidazol-1-ylphenyl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[[4-(1-imidazolyl)phenyl]methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(4-imidazol-1-ylphenyl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(4-imidazol-1-ylbenzyl)amino]-2-methyl-valeric acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=CC=C(C=C1)N2C=CN=C2

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=CC=C(C=C1)N2C=CN=C2

InChI

InChI=1S/C16H21N3O2/c1-3-8-16(2,15(20)21)18-11-13-4-6-14(7-5-13)19-10-9-17-12-19/h4-7,9-10,12,18H,3,8,11H2,1-2H3,(H,20,21)