2-(1-benzofuran-2-yl)-3-[tert-butyl(phenylmethoxycarbonyl)amino]-3-methyl-5-propoxy-2H-1,3-oxazol-3-ium-4-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-yl)-3-[tert-butyl(phenylmethoxycarbonyl)amino]-3-methyl-5-propoxy-2H-1,3-oxazol-3-ium-4-carboxylic acid Openeye Name: 2-(benzofuran-2-yl)-3-[benzyloxycarbonyl(tert-butyl)amino]-3-methyl-5-propoxy-2H-oxazol-3-ium-4-carboxylic acid CAS Name: 2-(2-benzofuranyl)-3-[tert-butyl(phenylmethoxycarbonyl)amino]-3-methyl-5-propoxy-2H-oxazol-3-ium-4-carboxylic acid IUPAC Name: 2-(1-benzofuran-2-yl)-3-[tert-butyl(phenylmethoxycarbonyl)amino]-3-methyl-5-propoxy-2H-1,3-oxazol-3-ium-4-carboxylic acid Traditional Name: 2-(benzofuran-2-yl)-3-[tert-butyl(carbobenzoxy)amino]-3-methyl-5-propoxy-4-oxazolin-3-ium-4-carboxylic acid Formula: C28H33N2O7+ MolecularWeight: 509.57082

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C([N+](C(O1)C2=CC3=CC=CC=C3O2)(C)N(C(=O)OCC4=CC=CC=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCOC1=C([N+](C(O1)C2=CC3=CC=CC=C3O2)(C)N(C(=O)OCC4=CC=CC=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C28H32N2O7/c1-6-16-34-26-23(25(31)32)30(5,24(37-26)22-17-20-14-10-11-15-21(20)36-22)29(28(2,3)4)27(33)35-18-19-12-8-7-9-13-19/h7-15,17,24H,6,16,18H2,1-5H3/p+1