2-[5-azanyl-4-[azanyl(phenyl)methyl]-1,5-dimethoxy-cyclohex-2-en-1-yl]oxyethanoic acid

Systemtic Name: 2-[5-azanyl-4-[azanyl(phenyl)methyl]-1,5-dimethoxy-cyclohex-2-en-1-yl]oxyethanoic acid Openeye Name: 2-[5-amino-4-[amino(phenyl)methyl]-1,5-dimethoxy-cyclohex-2-en-1-yl]oxyacetic acid CAS Name: 2-[[5-amino-4-[amino(phenyl)methyl]-1,5-dimethoxy-1-cyclohex-2-enyl]oxy]acetic acid IUPAC Name: 2-[5-amino-4-[amino(phenyl)methyl]-1,5-dimethoxycyclohex-2-en-1-yl]oxyacetic acid Traditional Name: 2-[5-amino-4-[amino(phenyl)methyl]-1,5-dimethoxy-cyclohex-2-en-1-yl]oxyacetic acid Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-22-16(24-10-14(20)21)9-8-13(17(19,11-16)23-2)15(18)12-6-4-3-5-7-12/h3-9,13,15H,10-11,18-19H2,1-2H3,(H,20,21)