2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-phenyl-propanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-phenyl-propanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-phenyl-propanoyl]phenoxy]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-phenylpropanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-phenyl-propanoyl]phenoxy]acetic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C2=CC=C(C=C2)OCC(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C2=CC=C(C=C2)OCC(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H23N3O5/c26-24(27)18-6-8-19(9-7-18)25(32)28-21(14-16-4-2-1-3-5-16)23(31)17-10-12-20(13-11-17)33-15-22(29)30/h1-13,21H,14-15H2,(H3,26,27)(H,28,32)(H,29,30)