methyl 3-(5-phenylmethoxypentyl)-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(5-phenylmethoxypentyl)-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(5-benzyloxypentyl)-7-isopropyl-azulene-1-carboxylate CAS Name: 3-(5-phenylmethoxypentyl)-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-phenylmethoxypentyl)-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(5-benzoxypentyl)-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCOCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCOCC3=CC=CC=C3

InChI

InChI=1S/C27H32O3/c1-20(2)22-14-10-15-24-23(18-26(25(24)17-22)27(28)29-3)13-8-5-9-16-30-19-21-11-6-4-7-12-21/h4,6-7,10-12,14-15,17-18,20H,5,8-9,13,16,19H2,1-3H3