3-[1-methyl-7-(2-methylpropyl)azulen-4-yl]butyl ethanoate

Systemtic Name: 3-[1-methyl-7-(2-methylpropyl)azulen-4-yl]butyl ethanoate Openeye Name: 3-(7-isobutyl-1-methyl-azulen-4-yl)butyl acetate CAS Name: acetic acid 3-[1-methyl-7-(2-methylpropyl)-4-azulenyl]butyl ester IUPAC Name: 3-[1-methyl-7-(2-methylpropyl)azulen-4-yl]butyl acetate Traditional Name: acetic acid 3-(7-isobutyl-1-methyl-azulen-4-yl)butyl ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC(=C2C=C1)C(C)CCOC(=O)C)CC(C)C

Isomeric SMILES

CC1=C2C=C(C=CC(=C2C=C1)C(C)CCOC(=O)C)CC(C)C

InChI

InChI=1S/C21H28O2/c1-14(2)12-18-7-9-19(16(4)10-11-23-17(5)22)20-8-6-15(3)21(20)13-18/h6-9,13-14,16H,10-12H2,1-5H3