methyl 5-(4-aminocarbonylphenyl)-3-(3-carbamimidoylphenyl)pentanoate

Systemtic Name: methyl 5-(4-aminocarbonylphenyl)-3-(3-carbamimidoylphenyl)pentanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-(4-carbamoylphenyl)pentanoate CAS Name: 3-(3-carbamimidoylphenyl)-5-(4-carbamoylphenyl)pentanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-(4-carbamoylphenyl)pentanoate Traditional Name: 3-(3-amidinophenyl)-5-(4-carbamoylphenyl)valeric acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-26-18(24)12-16(15-3-2-4-17(11-15)19(21)22)10-7-13-5-8-14(9-6-13)20(23)25/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H2,23,25)