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ethyl (3aS,7aS)-2-methyl-7a-phenyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate

ethyl (3aS,7aS)-2-methyl-7a-phenyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate

Systemtic Name:ethyl (3aS,7aS)-2-methyl-7a-phenyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate
Openeye Name:ethyl (3aS,7aS)-2-methyl-7a-phenyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylate
CAS Name:(3aS,7aS)-2-methyl-7a-phenyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylic acid ethyl ester
IUPAC Name:ethyl (3aS,7aS)-2-methyl-7a-phenyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate
Traditional Name:(3aS,7aS)-2-methyl-7a-phenyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylic acid ethyl ester
Formula: C18H22O3
MolecularWeight: 286.36548
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2(C1CCCC2)C3=CC=CC=C3)C


Isomeric SMILES

CCOC(=O)C1=C(O[C@@]2([C@H]1CCCC2)C3=CC=CC=C3)C


InChI

InChI=1S/C18H22O3/c1-3-20-17(19)16-13(2)21-18(12-8-7-11-15(16)18)14-9-5-4-6-10-14/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3/t15-,18+/m0/s1


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