2-[4-[azanyl-(6-azanyl-4,6-dimethoxy-cyclohexa-2,4-dien-1-yl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[azanyl-(6-azanyl-4,6-dimethoxy-cyclohexa-2,4-dien-1-yl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[amino-(6-amino-4,6-dimethoxy-cyclohexa-2,4-dien-1-yl)methyl]phenoxy]acetic acid CAS Name: 2-[4-[amino-(6-amino-4,6-dimethoxy-1-cyclohexa-2,4-dienyl)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[amino-(6-amino-4,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]phenoxy]acetic acid Traditional Name: 2-[4-[amino-(6-amino-4,6-dimethoxy-cyclohexa-2,4-dien-1-yl)methyl]phenoxy]acetic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C(C=C1)C(C2=CC=C(C=C2)OCC(=O)O)N)(N)OC

Isomeric SMILES

COC1=CC(C(C=C1)C(C2=CC=C(C=C2)OCC(=O)O)N)(N)OC

InChI

InChI=1S/C17H22N2O5/c1-22-13-7-8-14(17(19,9-13)23-2)16(18)11-3-5-12(6-4-11)24-10-15(20)21/h3-9,14,16H,10,18-19H2,1-2H3,(H,20,21)