6-[bis(azanyl)methylideneamino]-6-(4-ethoxycarbonylphenyl)hexanoic acid

Systemtic Name: 6-[bis(azanyl)methylideneamino]-6-(4-ethoxycarbonylphenyl)hexanoic acid Openeye Name: 6-(4-ethoxycarbonylphenyl)-6-guanidino-hexanoic acid CAS Name: 6-(diaminomethylideneamino)-6-(4-ethoxycarbonylphenyl)hexanoic acid IUPAC Name: 6-(diaminomethylideneamino)-6-(4-ethoxycarbonylphenyl)hexanoic acid Traditional Name: 6-(4-carbethoxyphenyl)-6-guanidino-hexanoic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(CCCCC(=O)O)N=C(N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(CCCCC(=O)O)N=C(N)N

InChI

InChI=1S/C16H23N3O4/c1-2-23-15(22)12-9-7-11(8-10-12)13(19-16(17)18)5-3-4-6-14(20)21/h7-10,13H,2-6H2,1H3,(H,20,21)(H4,17,18,19)