methyl 3-(4-phenylmethoxybutyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(4-phenylmethoxybutyl)azulene-1-carboxylate Openeye Name: methyl 3-(4-benzyloxybutyl)azulene-1-carboxylate CAS Name: 3-(4-phenylmethoxybutyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-phenylmethoxybutyl)azulene-1-carboxylate Traditional Name: 3-(4-benzoxybutyl)azulene-1-carboxylic acid methyl ester Formula: C23H24O3 MolecularWeight: 348.43486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCOCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCOCC3=CC=CC=C3

InChI

InChI=1S/C23H24O3/c1-25-23(24)22-16-19(20-13-6-3-7-14-21(20)22)12-8-9-15-26-17-18-10-4-2-5-11-18/h2-7,10-11,13-14,16H,8-9,12,15,17H2,1H3