2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-ethoxy-2-oxidanylidene-ethyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-ethoxy-2-oxidanylidene-ethyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-ethoxy-2-oxo-ethyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-ethoxy-2-oxoethyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-ethoxy-2-oxoethyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[5-[2-[(4-amidinobenzyl)amino]-1-ethoxy-2-keto-ethyl]-2-methoxy-phenoxy]acetic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC(=C(C=C1)OC)OCC(=O)O)C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(C1=CC(=C(C=C1)OC)OCC(=O)O)C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N3O6/c1-3-29-19(15-8-9-16(28-2)17(10-15)30-12-18(25)26)21(27)24-11-13-4-6-14(7-5-13)20(22)23/h4-10,19H,3,11-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,26)