[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [(1S)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C25H30FNO3 MolecularWeight: 411.509003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2(CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)OC(=O)C2(CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H30FNO3/c1-16(2)21-9-7-8-17(3)22(21)27-23(28)18(4)30-24(29)25(14-5-6-15-25)19-10-12-20(26)13-11-19/h7-13,16,18H,5-6,14-15H2,1-4H3,(H,27,28)/t18-/m0/s1