2-[1-(cyclohexen-1-yl)-2-phenylmethoxy-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate

Systemtic Name: 2-[1-(cyclohexen-1-yl)-2-phenylmethoxy-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate Openeye Name: 2-[2-benzyloxy-1-(cyclohexen-1-yl)-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate CAS Name: 2-[1-(1-cyclohexenyl)-2-phenylmethoxy-1-(2H-pyran-2-yl)ethyl]-1-azulenecarboxylate IUPAC Name: 2-[1-(cyclohexen-1-yl)-2-phenylmethoxy-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate Traditional Name: 2-[2-benzoxy-1-(cyclohexen-1-yl)-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate Formula: C31H29O4- MolecularWeight: 465.55956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(COCC2=CC=CC=C2)(C3C=CC=CO3)C4=CC5=CC=CC=CC5=C4C(=O)[O-]

Isomeric SMILES

C1CCC(=CC1)C(COCC2=CC=CC=C2)(C3C=CC=CO3)C4=CC5=CC=CC=CC5=C4C(=O)[O-]

InChI

InChI=1S/C31H30O4/c32-30(33)29-26-17-9-2-6-14-24(26)20-27(29)31(25-15-7-3-8-16-25,28-18-10-11-19-35-28)22-34-21-23-12-4-1-5-13-23/h1-2,4-6,9-15,17-20,28H,3,7-8,16,21-22H2,(H,32,33)/p-1