methyl 3-(4-phenylmethoxybutyl)-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(4-phenylmethoxybutyl)-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(4-benzyloxybutyl)-7-isopropyl-azulene-1-carboxylate CAS Name: 3-(4-phenylmethoxybutyl)-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-phenylmethoxybutyl)-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(4-benzoxybutyl)-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C26H30O3 MolecularWeight: 390.5146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCOCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCOCC3=CC=CC=C3

InChI

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