methyl 2-(2-acetamido-1-butyl-3-ethoxycarbonyloxy-azulen-6-yl)ethanoate

Systemtic Name: methyl 2-(2-acetamido-1-butyl-3-ethoxycarbonyloxy-azulen-6-yl)ethanoate Openeye Name: methyl 2-(2-acetamido-1-butyl-3-ethoxycarbonyloxy-azulen-6-yl)acetate CAS Name: 2-(2-acetamido-1-butyl-3-ethoxycarbonyloxy-6-azulenyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-acetamido-1-butyl-3-ethoxycarbonyloxyazulen-6-yl)acetate Traditional Name: 2-(2-acetamido-1-butyl-3-carbethoxyoxy-azulen-6-yl)acetic acid methyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CC(=O)OC

Isomeric SMILES

CCCCC1=C2C=CC(=CC=C2C(=C1NC(=O)C)OC(=O)OCC)CC(=O)OC

InChI

InChI=1S/C22H27NO6/c1-5-7-8-17-16-11-9-15(13-19(25)27-4)10-12-18(16)21(20(17)23-14(3)24)29-22(26)28-6-2/h9-12H,5-8,13H2,1-4H3,(H,23,24)