ethyl 1-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]-2-methyl-4-octyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]-2-methyl-4-octyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]-2-methyl-4-octyl-pyrrole-3-carboxylate CAS Name: 1-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-2-methyl-4-octyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-2-methyl-4-octylpyrrole-3-carboxylate Traditional Name: 1-[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]-2-methyl-4-octyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN(C(=C1C(=O)OCC)C)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CN(C(=C1C(=O)OCC)C)[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C26H37NO4/c1-5-7-8-9-10-14-17-22-19-27(20(3)24(22)26(29)31-6-2)23(25(28)30-4)18-21-15-12-11-13-16-21/h11-13,15-16,19,23H,5-10,14,17-18H2,1-4H3/t23-/m0/s1