methyl 4-azanyl-3-[(3-oxidanylidenespiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-azanyl-3-[(3-oxidanylidenespiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)carbonylamino]benzoate Openeye Name: methyl 4-amino-3-[(3'-oxospiro[cyclohexane-4,1'-isobenzofuran]-1-carbonyl)amino]benzoate CAS Name: 4-amino-3-[[oxo-(3'-oxo-1-spiro[cyclohexane-4,1'-isobenzofuran]yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[(3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-carbonyl)amino]benzoate Traditional Name: 4-amino-3-[(3'-ketospiro[cyclohexane-4,1'-phthalan]-1-carbonyl)amino]benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)NC(=O)C2CCC3(CC2)C4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)NC(=O)C2CCC3(CC2)C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H22N2O5/c1-28-20(26)14-6-7-17(23)18(12-14)24-19(25)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(27)29-22/h2-7,12-13H,8-11,23H2,1H3,(H,24,25)