3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5,6,7-hexahydro-3-benzazonine-2-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5,6,7-hexahydro-3-benzazonine-2-carboxylic acid Openeye Name: 3-tert-butoxycarbonyl-1,2,4,5,6,7-hexahydro-3-benzazonine-2-carboxylic acid CAS Name: 3-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,2,4,5,6,7-hexahydro-3-benzazonine-2-carboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5,6,7-hexahydro-3-benzazonine-2-carboxylic acid Traditional Name: 3-tert-butoxycarbonyl-1,2,4,5,6,7-hexahydro-3-benzazonine-2-carboxylic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C18H25NO4/c1-18(2,3)23-17(22)19-11-7-6-9-13-8-4-5-10-14(13)12-15(19)16(20)21/h4-5,8,10,15H,6-7,9,11-12H2,1-3H3,(H,20,21)