bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-methyl-2-phenylazanyl-2-propan-2-yloxycarbonyl-butanoic acid

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-methyl-2-phenylazanyl-2-propan-2-yloxycarbonyl-butanoic acid Openeye Name: 2-anilino-2-isopropoxycarbonyl-3-methyl-butanoic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 2-anilino-3-methyl-2-[oxo(propan-2-yloxy)methyl]butanoic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 2-anilino-3-methyl-2-propan-2-yloxycarbonylbutanoic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 2-anilino-2-isopropoxycarbonyl-3-methyl-butyric acid; bicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)(C(=O)OC(C)C)NC1=CC=CC=C1.C1=CC2=C1C=C2

Isomeric SMILES

CC(C)C(C(=O)O)(C(=O)OC(C)C)NC1=CC=CC=C1.C1=CC2=C1C=C2

InChI

InChI=1S/C15H21NO4.C6H4/c1-10(2)15(13(17)18,14(19)20-11(3)4)16-12-8-6-5-7-9-12;1-2-6-4-3-5(1)6/h5-11,16H,1-4H3,(H,17,18);1-4H