N-(2,5-dimethylpyrrol-1-yl)-4-[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: N-(2,5-dimethylpyrrol-1-yl)-4-[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethoxy]benzamide Openeye Name: N-(2,5-dimethylpyrrol-1-yl)-4-[2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethoxy]benzamide CAS Name: N-(2,5-dimethyl-1-pyrrolyl)-4-[2-[[(2S)-heptan-2-yl]amino]-2-oxoethoxy]benzamide IUPAC Name: N-(2,5-dimethylpyrrol-1-yl)-4-[2-[[(2S)-heptan-2-yl]amino]-2-oxoethoxy]benzamide Traditional Name: N-(2,5-dimethylpyrrol-1-yl)-4-[2-keto-2-[[(1S)-1-methylhexyl]amino]ethoxy]benzamide Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC1=CC=C(C=C1)C(=O)NN2C(=CC=C2C)C

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC1=CC=C(C=C1)C(=O)NN2C(=CC=C2C)C

InChI

InChI=1S/C22H31N3O3/c1-5-6-7-8-16(2)23-21(26)15-28-20-13-11-19(12-14-20)22(27)24-25-17(3)9-10-18(25)4/h9-14,16H,5-8,15H2,1-4H3,(H,23,26)(H,24,27)/t16-/m0/s1