4-(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylic acid Openeye Name: 4-(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylic acid CAS Name: 4-(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylic acid Traditional Name: 4-(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)piperazine-1-carboxylic acid Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=C1)N3CCN(CC3)C(=O)O)OCCN2

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=C1)N3CCN(CC3)C(=O)O)OCCN2

InChI

InChI=1S/C17H25N3O3/c1-17(2,3)12-10-13-15(23-9-4-18-13)14(11-12)19-5-7-20(8-6-19)16(21)22/h10-11,18H,4-9H2,1-3H3,(H,21,22)