methyl 4-[3-(3-carbamimidoylphenyl)-5-methoxy-5-oxidanylidene-pentyl]benzoate

Systemtic Name: methyl 4-[3-(3-carbamimidoylphenyl)-5-methoxy-5-oxidanylidene-pentyl]benzoate Openeye Name: methyl 4-[3-(3-carbamimidoylphenyl)-5-methoxy-5-oxo-pentyl]benzoate CAS Name: 4-[3-(3-carbamimidoylphenyl)-5-methoxy-5-oxopentyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-carbamimidoylphenyl)-5-methoxy-5-oxopentyl]benzoate Traditional Name: 4-[3-(3-amidinophenyl)-5-keto-5-methoxy-pentyl]benzoic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1=CC=C(C=C1)C(=O)OC)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)CC(CCC1=CC=C(C=C1)C(=O)OC)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H24N2O4/c1-26-19(24)13-17(16-4-3-5-18(12-16)20(22)23)11-8-14-6-9-15(10-7-14)21(25)27-2/h3-7,9-10,12,17H,8,11,13H2,1-2H3,(H3,22,23)