2-[[1,3-bis(ethoxycarbonyloxy)-2-methyl-azulen-4-yl]carbonylamino]-2-methoxy-ethanoic acid

Systemtic Name: 2-[[1,3-bis(ethoxycarbonyloxy)-2-methyl-azulen-4-yl]carbonylamino]-2-methoxy-ethanoic acid Openeye Name: 2-[[1,3-bis(ethoxycarbonyloxy)-2-methyl-azulene-4-carbonyl]amino]-2-methoxy-acetic acid CAS Name: 2-[[[1,3-bis(ethoxycarbonyloxy)-2-methyl-4-azulenyl]-oxomethyl]amino]-2-methoxyacetic acid IUPAC Name: 2-[[1,3-bis(ethoxycarbonyloxy)-2-methylazulene-4-carbonyl]amino]-2-methoxyacetic acid Traditional Name: 2-[(1,3-dicarbethoxyoxy-2-methyl-azulene-4-carbonyl)amino]-2-methoxy-acetic acid Formula: C21H23NO10 MolecularWeight: 449.40802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C(=C2C1=CC=CC=C2C(=O)NC(C(=O)O)OC)OC(=O)OCC)C

Isomeric SMILES

CCOC(=O)OC1=C(C(=C2C1=CC=CC=C2C(=O)NC(C(=O)O)OC)OC(=O)OCC)C

InChI

InChI=1S/C21H23NO10/c1-5-29-20(26)31-15-11(3)16(32-21(27)30-6-2)14-12(15)9-7-8-10-13(14)17(23)22-18(28-4)19(24)25/h7-10,18H,5-6H2,1-4H3,(H,22,23)(H,24,25)