methyl 3-[(3-carbamimidoylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[(3-carbamimidoylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-[(3-carbamimidoylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[(3-carbamimidoylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-carbamimidoylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-[(3-amidinophenoxy)methyl]-5-(3-amidinophenyl)benzoic acid methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H22N4O3/c1-29-23(28)19-9-14(13-30-20-7-3-6-17(12-20)22(26)27)8-18(11-19)15-4-2-5-16(10-15)21(24)25/h2-12H,13H2,1H3,(H3,24,25)(H3,26,27)