naphthalen-2-yl 3-[2-[7-(4-chlorophenyl)heptyl]-5-methyl-phenyl]oxirane-2-carboxylate

Systemtic Name: naphthalen-2-yl 3-[2-[7-(4-chlorophenyl)heptyl]-5-methyl-phenyl]oxirane-2-carboxylate Openeye Name: 2-naphthyl 3-[2-[7-(4-chlorophenyl)heptyl]-5-methyl-phenyl]oxirane-2-carboxylate CAS Name: 3-[2-[7-(4-chlorophenyl)heptyl]-5-methylphenyl]-2-oxiranecarboxylic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 3-[2-[7-(4-chlorophenyl)heptyl]-5-methylphenyl]oxirane-2-carboxylate Traditional Name: 3-[2-[7-(4-chlorophenyl)heptyl]-5-methyl-phenyl]oxirane-2-carboxylic acid 2-naphthyl ester Formula: C33H33ClO3 MolecularWeight: 513.06632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCCCCC2=CC=C(C=C2)Cl)C3C(O3)C(=O)OC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCCCCC2=CC=C(C=C2)Cl)C3C(O3)C(=O)OC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H33ClO3/c1-23-13-16-26(11-6-4-2-3-5-9-24-14-18-28(34)19-15-24)30(21-23)31-32(37-31)33(35)36-29-20-17-25-10-7-8-12-27(25)22-29/h7-8,10,12-22,31-32H,2-6,9,11H2,1H3