[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]methyl 3-phenylpropanoate

Systemtic Name: [[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]methyl 3-phenylpropanoate Openeye Name: [(4-guanidinobenzoyl)amino]methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]methyl ester IUPAC Name: [[4-(diaminomethylideneamino)benzoyl]amino]methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(4-guanidinobenzoyl)amino]methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCNC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCNC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C18H20N4O3/c19-18(20)22-15-9-7-14(8-10-15)17(24)21-12-25-16(23)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2,(H,21,24)(H4,19,20,22)