3-[4-carbamimidoyl-2-[2-[(2-propan-2-yloxyphenyl)carbonylamino]ethoxy]phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-carbamimidoyl-2-[2-[(2-propan-2-yloxyphenyl)carbonylamino]ethoxy]phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[2-[(2-isopropoxybenzoyl)amino]ethoxy]phenyl]-2-oxo-propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[2-[[oxo-(2-propan-2-yloxyphenyl)methyl]amino]ethoxy]phenyl]-2-oxopropanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[2-[(2-propan-2-yloxybenzoyl)amino]ethoxy]phenyl]-2-oxopropanoic acid Traditional Name: 3-[4-amidino-2-[2-[(2-isopropoxybenzoyl)amino]ethoxy]phenyl]-2-keto-propionic acid Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O

InChI

InChI=1S/C22H25N3O6/c1-13(2)31-18-6-4-3-5-16(18)21(27)25-9-10-30-19-12-15(20(23)24)8-7-14(19)11-17(26)22(28)29/h3-8,12-13H,9-11H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29)