2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-quinolin-7-yl]-(phenylcarbonyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-quinolin-7-yl]-(phenylcarbonyl)amino]ethanoic acid Openeye Name: 2-[benzoyl-[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-7-quinolyl]amino]acetic acid CAS Name: 2-[benzoyl-[2-[(4-carbamimidoylphenoxy)methyl]-4-methyl-7-quinolinyl]amino]acetic acid IUPAC Name: 2-[benzoyl-[2-[(4-carbamimidoylphenoxy)methyl]-4-methylquinolin-7-yl]amino]acetic acid Traditional Name: 2-[[2-[(4-amidinophenoxy)methyl]-4-methyl-7-quinolyl]-benzoyl-amino]acetic acid Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)N(CC(=O)O)C(=O)C3=CC=CC=C3)COC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)N(CC(=O)O)C(=O)C3=CC=CC=C3)COC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H24N4O4/c1-17-13-20(16-35-22-10-7-18(8-11-22)26(28)29)30-24-14-21(9-12-23(17)24)31(15-25(32)33)27(34)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H3,28,29)(H,32,33)