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

Systemtic Name: 2-[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoylamino]oxyethanoic acid Openeye Name: 2-[[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]amino]oxyacetic acid CAS Name: 2-[[2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-1-oxoethyl]amino]oxyacetic acid IUPAC Name: 2-[[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]amino]oxyacetic acid Traditional Name: 2-[[2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)acetyl]amino]oxyacetic acid Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8/c1-3-28-19(26)16-12-7-5-11(9-14(23)22-30-10-15(24)25)6-8-13(12)17(18(16)21)20(27)29-4-2/h5-8H,3-4,9-10,21H2,1-2H3,(H,22,23)(H,24,25)