3-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]phenoxy]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]phenoxy]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[2-[(3-guanidinobenzoyl)amino]phenoxy]-3-(3-pyridyl)propanoic acid CAS Name: 3-[2-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]phenoxy]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[2-[[3-(diaminomethylideneamino)benzoyl]amino]phenoxy]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[2-[(3-guanidinobenzoyl)amino]phenoxy]-3-(3-pyridyl)propionic acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)N=C(N)N)OC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)N=C(N)N)OC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H21N5O4/c23-22(24)26-16-7-3-5-14(11-16)21(30)27-17-8-1-2-9-18(17)31-19(12-20(28)29)15-6-4-10-25-13-15/h1-11,13,19H,12H2,(H,27,30)(H,28,29)(H4,23,24,26)