[4-[bis(azanyl)methylideneamino]phenyl] 3-benzamidopropanoate

Systemtic Name: [4-[bis(azanyl)methylideneamino]phenyl] 3-benzamidopropanoate Openeye Name: (4-guanidinophenyl) 3-benzamidopropanoate CAS Name: 3-benzamidopropanoic acid [4-(diaminomethylideneamino)phenyl] ester IUPAC Name: [4-(diaminomethylideneamino)phenyl] 3-benzamidopropanoate Traditional Name: 3-benzamidopropionic acid (4-guanidinophenyl) ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCC(=O)OC2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCC(=O)OC2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C17H18N4O3/c18-17(19)21-13-6-8-14(9-7-13)24-15(22)10-11-20-16(23)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,23)(H4,18,19,21)