[1-naphthalen-1-yl-3-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]naphthalen-2-yl] benzoate

Systemtic Name: [1-naphthalen-1-yl-3-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]naphthalen-2-yl] benzoate Openeye Name: [1-(1-naphthyl)-3-[(E)-3-(4-pentylcyclohexyl)allyloxy]-2-naphthyl] benzoate CAS Name: benzoic acid [1-(1-naphthalenyl)-3-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]-2-naphthalenyl] ester IUPAC Name: [1-naphthalen-1-yl-3-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]naphthalen-2-yl] benzoate Traditional Name: benzoic acid [3-[(E)-3-(4-amylcyclohexyl)allyloxy]-1-(1-naphthyl)-2-naphthyl] ester Formula: C41H42O3 MolecularWeight: 582.77038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C=CCOC2=CC3=CC=CC=C3C(=C2OC(=O)C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCCCCC1CCC(CC1)/C=C/COC2=CC3=CC=CC=C3C(=C2OC(=O)C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C41H42O3/c1-2-3-5-14-30-24-26-31(27-25-30)15-13-28-43-38-29-34-19-9-11-22-36(34)39(37-23-12-20-32-16-8-10-21-35(32)37)40(38)44-41(42)33-17-6-4-7-18-33/h4,6-13,15-23,29-31H,2-3,5,14,24-28H2,1H3/b15-13+