(E)-3-[2-(4-carbamimidoylphenoxy)-4-methyl-quinolin-7-yl]but-2-enoic acid

Systemtic Name: (E)-3-[2-(4-carbamimidoylphenoxy)-4-methyl-quinolin-7-yl]but-2-enoic acid Openeye Name: (E)-3-[2-(4-carbamimidoylphenoxy)-4-methyl-7-quinolyl]but-2-enoic acid CAS Name: (E)-3-[2-(4-carbamimidoylphenoxy)-4-methyl-7-quinolinyl]-2-butenoic acid IUPAC Name: (E)-3-[2-(4-carbamimidoylphenoxy)-4-methylquinolin-7-yl]but-2-enoic acid Traditional Name: (E)-3-[2-(4-amidinophenoxy)-4-methyl-7-quinolyl]but-2-enoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)C(=CC(=O)O)C)OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)/C(=C/C(=O)O)/C)OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H19N3O3/c1-12(10-20(25)26)15-5-8-17-13(2)9-19(24-18(17)11-15)27-16-6-3-14(4-7-16)21(22)23/h3-11H,1-2H3,(H3,22,23)(H,25,26)/b12-10+