methyl 3-(4-phenylmethoxybutyl)-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(4-phenylmethoxybutyl)-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(4-benzyloxybutyl)-6-isopropyl-azulene-1-carboxylate CAS Name: 3-(4-phenylmethoxybutyl)-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-phenylmethoxybutyl)-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(4-benzoxybutyl)-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C26H30O3 MolecularWeight: 392.507142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCOCC3=CC=CC=C3)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C([14CH]=C2CCCCOCC3=CC=CC=C3)C(=O)OC)C=C1

InChI

InChI=1S/C26H30O3/c1-19(2)21-12-14-23-22(17-25(26(27)28-3)24(23)15-13-21)11-7-8-16-29-18-20-9-5-4-6-10-20/h4-6,9-10,12-15,17,19H,7-8,11,16,18H2,1-3H3/i17+2