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

Systemtic Name: phenyl 2-[[3-[bis(azanyl)methylideneamino]phenyl]methyl]pentanoate Openeye Name: phenyl 2-[(3-guanidinophenyl)methyl]pentanoate CAS Name: 2-[[3-(diaminomethylideneamino)phenyl]methyl]pentanoic acid phenyl ester IUPAC Name: phenyl 2-[[3-(diaminomethylideneamino)phenyl]methyl]pentanoate Traditional Name: 2-(3-guanidinobenzyl)valeric acid phenyl ester Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-2-7-15(18(23)24-17-10-4-3-5-11-17)12-14-8-6-9-16(13-14)22-19(20)21/h3-6,8-11,13,15H,2,7,12H2,1H3,(H4,20,21,22)