[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-cyclopentylpropanoate

Systemtic Name: [(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-cyclopentylpropanoate Openeye Name: [(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CCC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-16-11-13-19(20(15-16)25(28)29)24-23(27)22(18-9-3-2-4-10-18)30-21(26)14-12-17-7-5-6-8-17/h2-4,9-11,13,15,17,22H,5-8,12,14H2,1H3,(H,24,27)/t22-/m0/s1