(1R,3S)-1,2,2-trimethyl-3-[(phenylmethyl)carbamoyl]cyclopentane-1-carboxylate

Systemtic Name: (1R,3S)-1,2,2-trimethyl-3-[(phenylmethyl)carbamoyl]cyclopentane-1-carboxylate Openeye Name: (1R,3S)-3-(benzylcarbamoyl)-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: (1R,3S)-1,2,2-trimethyl-3-[oxo-[(phenylmethyl)amino]methyl]-1-cyclopentanecarboxylate IUPAC Name: (1R,3S)-3-(benzylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: (1R,3S)-3-(benzylcarbamoyl)-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C17H22NO3- MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-16(2)13(9-10-17(16,3)15(20)21)14(19)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,19)(H,20,21)/p-1/t13-,17+/m1/s1