3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4,5,6,7,8-hexahydro-1H-3-benzazecine-2-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4,5,6,7,8-hexahydro-1H-3-benzazecine-2-carboxylic acid Openeye Name: 3-tert-butoxycarbonyl-2,4,5,6,7,8-hexahydro-1H-3-benzazecine-2-carboxylic acid CAS Name: 3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2,4,5,6,7,8-hexahydro-1H-3-benzazecine-2-carboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4,5,6,7,8-hexahydro-1H-3-benzazecine-2-carboxylic acid Traditional Name: 3-tert-butoxycarbonyl-2,4,5,6,7,8-hexahydro-1H-3-benzazecine-2-carboxylic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCCC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCCC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C19H27NO4/c1-19(2,3)24-18(23)20-12-8-4-5-9-14-10-6-7-11-15(14)13-16(20)17(21)22/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3,(H,21,22)