2-[[5-carbamimidoyl-2-[[(3-chloranyl-5-methoxy-phenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid

Systemtic Name: 2-[[5-carbamimidoyl-2-[[(3-chloranyl-5-methoxy-phenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid Openeye Name: 2-[5-carbamimidoyl-2-[[(3-chloro-5-methoxy-benzoyl)amino]methyl]anilino]acetic acid CAS Name: 2-[5-carbamimidoyl-2-[[[(3-chloro-5-methoxyphenyl)-oxomethyl]amino]methyl]anilino]acetic acid IUPAC Name: 2-[5-carbamimidoyl-2-[[(3-chloro-5-methoxybenzoyl)amino]methyl]anilino]acetic acid Traditional Name: 2-[5-amidino-2-[[(3-chloro-5-methoxy-benzoyl)amino]methyl]anilino]acetic acid Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O)Cl

InChI

InChI=1S/C18H19ClN4O4/c1-27-14-5-12(4-13(19)7-14)18(26)23-8-11-3-2-10(17(20)21)6-15(11)22-9-16(24)25/h2-7,22H,8-9H2,1H3,(H3,20,21)(H,23,26)(H,24,25)