phenyl 2-[[3-[bis(azanyl)methylideneamino]phenyl]methyl]butanoate

Systemtic Name: phenyl 2-[[3-[bis(azanyl)methylideneamino]phenyl]methyl]butanoate Openeye Name: phenyl 2-[(3-guanidinophenyl)methyl]butanoate CAS Name: 2-[[3-(diaminomethylideneamino)phenyl]methyl]butanoic acid phenyl ester IUPAC Name: phenyl 2-[[3-(diaminomethylideneamino)phenyl]methyl]butanoate Traditional Name: 2-(3-guanidinobenzyl)butyric acid phenyl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)N=C(N)N)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(CC1=CC(=CC=C1)N=C(N)N)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2/c1-2-14(17(22)23-16-9-4-3-5-10-16)11-13-7-6-8-15(12-13)21-18(19)20/h3-10,12,14H,2,11H2,1H3,(H4,19,20,21)