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

Systemtic Name: phenyl 3-[3-[bis(azanyl)methylideneamino]phenyl]-2-methyl-propanoate hydrochloride Openeye Name: phenyl 3-(3-guanidinophenyl)-2-methyl-propanoate hydrochloride CAS Name: 3-[3-(diaminomethylideneamino)phenyl]-2-methylpropanoic acid phenyl ester hydrochloride IUPAC Name: phenyl 3-[3-(diaminomethylideneamino)phenyl]-2-methylpropanoate hydrochloride Traditional Name: 3-(3-guanidinophenyl)-2-methyl-propionic acid phenyl ester hydrochloride Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)N=C(N)N)C(=O)OC2=CC=CC=C2.Cl

Isomeric SMILES

CC(CC1=CC(=CC=C1)N=C(N)N)C(=O)OC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H19N3O2.ClH/c1-12(16(21)22-15-8-3-2-4-9-15)10-13-6-5-7-14(11-13)20-17(18)19;/h2-9,11-12H,10H2,1H3,(H4,18,19,20);1H