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

Systemtic Name: methyl 2-[1-ethoxycarbonyloxy-3-(3-methylbutyl)azulen-6-yl]ethanoate Openeye Name: methyl 2-(1-ethoxycarbonyloxy-3-isopentyl-azulen-6-yl)acetate CAS Name: 2-[1-ethoxycarbonyloxy-3-(3-methylbutyl)-6-azulenyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-ethoxycarbonyloxy-3-(3-methylbutyl)azulen-6-yl]acetate Traditional Name: 2-(1-carbethoxyoxy-3-isoamyl-azulen-6-yl)acetic acid methyl ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5/c1-5-25-21(23)26-19-13-16(9-6-14(2)3)17-10-7-15(8-11-18(17)19)12-20(22)24-4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3