methyl 2-[2-acetamido-1-ethoxycarbonyloxy-3-(2-methylpropyl)azulen-6-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C(=C2C1=CC=C(C=C2)CC(=O)OC)CC(C)C)NC(=O)C

Isomeric SMILES

CCOC(=O)OC1=C(C(=C2C1=CC=C(C=C2)CC(=O)OC)CC(C)C)NC(=O)C

InChI

InChI=1S/C22H27NO6/c1-6-28-22(26)29-21-17-10-8-15(12-19(25)27-5)7-9-16(17)18(11-13(2)3)20(21)23-14(4)24/h7-10,13H,6,11-12H2,1-5H3,(H,23,24)