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

Systemtic Name: (4-butan-2-ylphenyl) 2-[[4-[bis(azanyl)methylideneamino]phenyl]methyl]butanoate Openeye Name: (4-sec-butylphenyl) 2-[(4-guanidinophenyl)methyl]butanoate CAS Name: 2-[[4-(diaminomethylideneamino)phenyl]methyl]butanoic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 2-[[4-(diaminomethylideneamino)phenyl]methyl]butanoate Traditional Name: 2-(4-guanidinobenzyl)butyric acid (4-sec-butylphenyl) ester Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C(CC)CC2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OC(=O)C(CC)CC2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C22H29N3O2/c1-4-15(3)18-8-12-20(13-9-18)27-21(26)17(5-2)14-16-6-10-19(11-7-16)25-22(23)24/h6-13,15,17H,4-5,14H2,1-3H3,(H4,23,24,25)