[[bis(azanyl)methylideneamino]-(phenylcarbonyl)amino] 3-(3-hydroxyphenyl)propanoate

Systemtic Name: [[bis(azanyl)methylideneamino]-(phenylcarbonyl)amino] 3-(3-hydroxyphenyl)propanoate Openeye Name: [benzoyl(guanidino)amino] 3-(3-hydroxyphenyl)propanoate CAS Name: 3-(3-hydroxyphenyl)propanoic acid [benzoyl-(diaminomethylideneamino)amino] ester IUPAC Name: [benzoyl-(diaminomethylideneamino)amino] 3-(3-hydroxyphenyl)propanoate Traditional Name: 3-(3-hydroxyphenyl)propionic acid [benzoyl(guanidino)amino] ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(N=C(N)N)OC(=O)CCC2=CC(=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(N=C(N)N)OC(=O)CCC2=CC(=CC=C2)O

InChI

InChI=1S/C17H18N4O4/c18-17(19)20-21(16(24)13-6-2-1-3-7-13)25-15(23)10-9-12-5-4-8-14(22)11-12/h1-8,11,22H,9-10H2,(H4,18,19,20)