methyl 3-(2-phenylmethoxyethyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(2-phenylmethoxyethyl)azulene-1-carboxylate Openeye Name: methyl 3-(2-benzyloxyethyl)azulene-1-carboxylate CAS Name: 3-(2-phenylmethoxyethyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-phenylmethoxyethyl)azulene-1-carboxylate Traditional Name: 3-(2-benzoxyethyl)azulene-1-carboxylic acid methyl ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCOCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C21H20O3/c1-23-21(22)20-14-17(18-10-6-3-7-11-19(18)20)12-13-24-15-16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3