6-tert-butyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid

Systemtic Name: 6-tert-butyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Openeye Name: 8-(4-tert-butoxycarbonylpiperazin-1-yl)-6-tert-butyl-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid CAS Name: 6-tert-butyl-8-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid IUPAC Name: 6-tert-butyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Traditional Name: 8-(4-tert-butoxycarbonylpiperazino)-6-tert-butyl-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C)OCCN2C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C)OCCN2C(=O)O

InChI

InChI=1S/C22H33N3O5/c1-21(2,3)15-13-16(18-17(14-15)25(19(26)27)11-12-29-18)23-7-9-24(10-8-23)20(28)30-22(4,5)6/h13-14H,7-12H2,1-6H3,(H,26,27)