2-[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl-methyl-amino]oxyethanoic acid

Systemtic Name: 2-[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl-methyl-amino]oxyethanoic acid Openeye Name: 2-[[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-methyl-amino]oxyacetic acid CAS Name: 2-[[2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-1-oxoethyl]-methylamino]oxyacetic acid IUPAC Name: 2-[[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-methylamino]oxyacetic acid Traditional Name: 2-[[2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)acetyl]-methyl-amino]oxyacetic acid Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)N(C)OCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)N(C)OCC(=O)O

InChI

InChI=1S/C21H24N2O8/c1-4-29-20(27)17-13-8-6-12(10-15(24)23(3)31-11-16(25)26)7-9-14(13)18(19(17)22)21(28)30-5-2/h6-9H,4-5,10-11,22H2,1-3H3,(H,25,26)