methyl 3-[3-(bromomethyl)phenyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[3-(bromomethyl)phenyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[3-(bromomethyl)phenyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[3-(bromomethyl)phenyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(bromomethyl)phenyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[3-(bromomethyl)phenyl]-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C22H21BrO2 MolecularWeight: 397.30494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2C(=O)OC)C3=CC(=CC=C3)CBr)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2C(=O)OC)C3=CC(=CC=C3)CBr)C=C1

InChI

InChI=1S/C22H21BrO2/c1-14(2)16-7-9-18-19(10-8-16)21(22(24)25-3)12-20(18)17-6-4-5-15(11-17)13-23/h4-12,14H,13H2,1-3H3