(phenylmethyl) 3,5-dimethyl-4-[2-[(2S)-octan-2-yl]oxy-2-oxidanylidene-ethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 3,5-dimethyl-4-[2-[(2S)-octan-2-yl]oxy-2-oxidanylidene-ethyl]-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3,5-dimethyl-4-[2-[(1S)-1-methylheptoxy]-2-oxo-ethyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[(2S)-octan-2-yl]oxy-2-oxoethyl]-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,5-dimethyl-4-[2-[(2S)-octan-2-yl]oxy-2-oxoethyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-keto-2-[(1S)-1-methylheptoxy]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCC[C@H](C)OC(=O)CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C24H33NO4/c1-5-6-7-9-12-17(2)29-22(26)15-21-18(3)23(25-19(21)4)24(27)28-16-20-13-10-8-11-14-20/h8,10-11,13-14,17,25H,5-7,9,12,15-16H2,1-4H3/t17-/m0/s1