methyl 3-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C23H22N2O6/c1-29-23(28)16-5-8-19(25-10-2-3-11-25)18(12-16)24-21(26)14-30-17-7-4-15-6-9-22(27)31-20(15)13-17/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,26)