methyl 3-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 3-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]carbonylamino]butanoate Openeye Name: methyl 3-[[3-[(4-carbamimidoylphenoxy)methyl]benzoyl]amino]butanoate CAS Name: 3-[[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-[[3-[(4-carbamimidoylphenoxy)methyl]benzoyl]amino]butanoate Traditional Name: 3-[[3-[(4-amidinophenoxy)methyl]benzoyl]amino]butyric acid methyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)NC(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CC(=O)OC)NC(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H23N3O4/c1-13(10-18(24)26-2)23-20(25)16-5-3-4-14(11-16)12-27-17-8-6-15(7-9-17)19(21)22/h3-9,11,13H,10,12H2,1-2H3,(H3,21,22)(H,23,25)