methyl 3-azanyl-4-[3-[bis(azanyl)methylideneamino]phenyl]butanoate

Systemtic Name: methyl 3-azanyl-4-[3-[bis(azanyl)methylideneamino]phenyl]butanoate Openeye Name: methyl 3-amino-4-(3-guanidinophenyl)butanoate CAS Name: 3-amino-4-[3-(diaminomethylideneamino)phenyl]butanoic acid methyl ester IUPAC Name: methyl 3-amino-4-[3-(diaminomethylideneamino)phenyl]butanoate Traditional Name: 3-amino-4-(3-guanidinophenyl)butyric acid methyl ester Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC(=CC=C1)N=C(N)N)N

Isomeric SMILES

COC(=O)CC(CC1=CC(=CC=C1)N=C(N)N)N

InChI

InChI=1S/C12H18N4O2/c1-18-11(17)7-9(13)5-8-3-2-4-10(6-8)16-12(14)15/h2-4,6,9H,5,7,13H2,1H3,(H4,14,15,16)