4-[3-(4-carbamimidoylphenyl)-2-(ethoxycarbonylcarbamoyl)phenyl]butanoic acid

Systemtic Name: 4-[3-(4-carbamimidoylphenyl)-2-(ethoxycarbonylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[3-(4-carbamimidoylphenyl)-2-(ethoxycarbonylcarbamoyl)phenyl]butanoic acid CAS Name: 4-[3-(4-carbamimidoylphenyl)-2-[(ethoxycarbonylamino)-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[3-(4-carbamimidoylphenyl)-2-(ethoxycarbonylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[3-(4-amidinophenyl)-2-(carbethoxycarbamoyl)phenyl]butyric acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C1=C(C=CC=C1CCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)NC(=O)C1=C(C=CC=C1CCCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H23N3O5/c1-2-29-21(28)24-20(27)18-14(6-4-8-17(25)26)5-3-7-16(18)13-9-11-15(12-10-13)19(22)23/h3,5,7,9-12H,2,4,6,8H2,1H3,(H3,22,23)(H,25,26)(H,24,27,28)