phenyl 2-[[4-[bis(azanyl)methylideneamino]phenyl]methyl]butanoate

Systemtic Name: phenyl 2-[[4-[bis(azanyl)methylideneamino]phenyl]methyl]butanoate Openeye Name: phenyl 2-[(4-guanidinophenyl)methyl]butanoate CAS Name: 2-[[4-(diaminomethylideneamino)phenyl]methyl]butanoic acid phenyl ester IUPAC Name: phenyl 2-[[4-(diaminomethylideneamino)phenyl]methyl]butanoate Traditional Name: 2-(4-guanidinobenzyl)butyric acid phenyl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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