3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methyl-4-oxidanylidene-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methyl-4-oxidanylidene-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methyl-4-oxo-chroman-2-yl]propanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methyl-4-oxo-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-4-keto-2-methyl-chroman-2-yl]propionic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C21H22N2O5/c1-21(9-8-19(25)26)11-17(24)16-10-15(6-7-18(16)28-21)27-12-13-2-4-14(5-3-13)20(22)23/h2-7,10H,8-9,11-12H2,1H3,(H3,22,23)(H,25,26)