(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C22H22N2O6/c1-13(2)24-22(28)23-11-14-3-5-15(6-4-14)21(27)29-12-16-9-20(26)30-19-10-17(25)7-8-18(16)19/h3-10,13,25H,11-12H2,1-2H3,(H2,23,24,28)