(1S,3S)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: (1S,3S)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: (1S,3S)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: (1S,3S)-3-[(4-bromoanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate IUPAC Name: (1S,3S)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: (1S,3S)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C16H19BrNO3- MolecularWeight: 353.23096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)[O-])C(=O)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

C[C@@]1(CC[C@@H](C1(C)C)C(=O)NC2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C16H20BrNO3/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-11-6-4-10(17)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)/p-1/t12-,16-/m1/s1