3-nitro-4-piperidin-1-yl-N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]benzamide

Systemtic Name: 3-nitro-4-piperidin-1-yl-N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(4-isopropylphenoxy)-1-methyl-ethyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-4-(1-piperidinyl)-N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]benzamide IUPAC Name: 3-nitro-4-piperidin-1-yl-N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]benzamide Traditional Name: N-[(1S)-2-(4-isopropylphenoxy)-1-methyl-ethyl]-3-nitro-4-piperidino-benzamide Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC1=CC=C(C=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O4/c1-17(2)19-7-10-21(11-8-19)31-16-18(3)25-24(28)20-9-12-22(23(15-20)27(29)30)26-13-5-4-6-14-26/h7-12,15,17-18H,4-6,13-14,16H2,1-3H3,(H,25,28)/t18-/m0/s1