(1S,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2,3-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: (1S,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2,3-trimethyl-cyclopentane-1-carboxylate Openeye Name: (1S,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2,3-trimethyl-cyclopentanecarboxylate CAS Name: (1S,3S)-3-[[(4-chlorophenyl)methylamino]-oxomethyl]-2,2,3-trimethyl-1-cyclopentanecarboxylate IUPAC Name: (1S,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylate Traditional Name: (1S,3S)-3-[(4-chlorobenzyl)carbamoyl]-2,2,3-trimethyl-cyclopentanecarboxylate Formula: C17H21ClNO3- MolecularWeight: 322.80654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)NCC2=CC=C(C=C2)Cl)C(=O)[O-])C

Isomeric SMILES

C[C@@]1(CC[C@@H](C1(C)C)C(=O)[O-])C(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO3/c1-16(2)13(14(20)21)8-9-17(16,3)15(22)19-10-11-4-6-12(18)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,19,22)(H,20,21)/p-1/t13-,17-/m1/s1