methyl 3-(7-phenylmethoxyheptyl)-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(7-phenylmethoxyheptyl)-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(7-benzyloxyheptyl)-6-isopropyl-azulene-1-carboxylate CAS Name: 3-(7-phenylmethoxyheptyl)-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(7-phenylmethoxyheptyl)-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(7-benzoxyheptyl)-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C29H36O3 MolecularWeight: 432.59434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCCCOCC3=CC=CC=C3)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCCCOCC3=CC=CC=C3)C(=O)OC)C=C1

InChI

InChI=1S/C29H36O3/c1-22(2)24-15-17-26-25(20-28(29(30)31-3)27(26)18-16-24)14-10-5-4-6-11-19-32-21-23-12-8-7-9-13-23/h7-9,12-13,15-18,20,22H,4-6,10-11,14,19,21H2,1-3H3