2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-methoxy-3-oxidanylidene-propyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-methoxy-3-oxidanylidene-propyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-methoxy-3-oxo-propyl]phenoxy]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-methoxy-3-oxopropyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-keto-3-methoxy-propyl]phenoxy]acetic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H21N3O6/c1-28-20(27)16(10-12-2-8-15(9-3-12)29-11-17(24)25)23-19(26)14-6-4-13(5-7-14)18(21)22/h2-9,16H,10-11H2,1H3,(H3,21,22)(H,23,26)(H,24,25)