methyl 3-[(E)-4-oxidanylbut-2-enyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[(E)-4-oxidanylbut-2-enyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[(E)-4-hydroxybut-2-enyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[(E)-4-hydroxybut-2-enyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-4-hydroxybut-2-enyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[(E)-4-hydroxybut-2-enyl]-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C19H22O3 MolecularWeight: 298.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CC=CCO)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2C/C=C/CO)C(=O)OC)C=C1

InChI

InChI=1S/C19H22O3/c1-13(2)14-7-9-16-15(6-4-5-11-20)12-18(19(21)22-3)17(16)10-8-14/h4-5,7-10,12-13,20H,6,11H2,1-3H3/b5-4+