phenyl 4-[bis(azanyl)methylideneamino]-2-(phenylmethyl)benzoate

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]-2-(phenylmethyl)benzoate Openeye Name: phenyl 2-benzyl-4-guanidino-benzoate CAS Name: 4-(diaminomethylideneamino)-2-(phenylmethyl)benzoic acid phenyl ester IUPAC Name: phenyl 2-benzyl-4-(diaminomethylideneamino)benzoate Traditional Name: 2-benzyl-4-guanidino-benzoic acid phenyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2/c22-21(23)24-17-11-12-19(20(25)26-18-9-5-2-6-10-18)16(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H4,22,23,24)