2-[2-[2-[[2-(3-methoxy-4-phenylmethoxy-phenyl)-4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]amino]ethanoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[2-[2-[[2-(3-methoxy-4-phenylmethoxy-phenyl)-4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]amino]ethanoylamino]phenyl]ethanoic acid Openeye Name: 2-[2-[[2-[2-(4-benzyloxy-3-methoxy-phenyl)-4-[(E)-N'-hydroxycarbamimidoyl]anilino]acetyl]amino]phenyl]acetic acid CAS Name: 2-[2-[[2-[4-[(E)-amino(hydroxyimino)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)anilino]-1-oxoethyl]amino]phenyl]acetic acid IUPAC Name: 2-[2-[[2-[4-[(E)-N'-hydroxycarbamimidoyl]-2-(3-methoxy-4-phenylmethoxyphenyl)anilino]acetyl]amino]phenyl]acetic acid Traditional Name: 2-[2-[[2-[4-[(E)-aminocarbohydroximoyl]-2-(4-benzoxy-3-methoxy-phenyl)anilino]acetyl]amino]phenyl]acetic acid Formula: C31H30N4O6 MolecularWeight: 554.5931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C=CC(=C2)C(=NO)N)NCC(=O)NC3=CC=CC=C3CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C=CC(=C2)/C(=N\O)/N)NCC(=O)NC3=CC=CC=C3CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H30N4O6/c1-40-28-16-21(12-14-27(28)41-19-20-7-3-2-4-8-20)24-15-23(31(32)35-39)11-13-26(24)33-18-29(36)34-25-10-6-5-9-22(25)17-30(37)38/h2-16,33,39H,17-19H2,1H3,(H2,32,35)(H,34,36)(H,37,38)