2-hydroxyethyl (1S,3R)-3-[(2,4,5-tricyanophenyl)methyl]cyclopentane-1-carboxylate

Systemtic Name: 2-hydroxyethyl (1S,3R)-3-[(2,4,5-tricyanophenyl)methyl]cyclopentane-1-carboxylate Openeye Name: 2-hydroxyethyl (1S,3R)-3-[(2,4,5-tricyanophenyl)methyl]cyclopentanecarboxylate CAS Name: (1S,3R)-3-[(2,4,5-tricyanophenyl)methyl]-1-cyclopentanecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl (1S,3R)-3-[(2,4,5-tricyanophenyl)methyl]cyclopentane-1-carboxylate Traditional Name: (1S,3R)-3-(2,4,5-tricyanobenzyl)cyclopentanecarboxylic acid 2-hydroxyethyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1CC2=C(C=C(C(=C2)C#N)C#N)C#N)C(=O)OCCO

Isomeric SMILES

C1C[C@@H](C[C@@H]1CC2=C(C=C(C(=C2)C#N)C#N)C#N)C(=O)OCCO

InChI

InChI=1S/C18H17N3O3/c19-9-15-8-17(11-21)16(10-20)7-14(15)6-12-1-2-13(5-12)18(23)24-4-3-22/h7-8,12-13,22H,1-6H2/t12-,13+/m1/s1