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

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methyl-chromen-2-yl]propanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methyl-chromen-2-yl]propanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-2-methylchromen-2-yl]propanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-2-methyl-chromen-2-yl]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CC1(C=CC2=C(O1)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C21H22N2O4/c1-21(11-9-19(24)25)10-8-16-12-17(6-7-18(16)27-21)26-13-14-2-4-15(5-3-14)20(22)23/h2-8,10,12H,9,11,13H2,1H3,(H3,22,23)(H,24,25)