methyl (2S)-4-[(E)-11-methoxy-11-oxidanylidene-undec-2-enyl]-5-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate

Systemtic Name: methyl (2S)-4-[(E)-11-methoxy-11-oxidanylidene-undec-2-enyl]-5-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate Openeye Name: methyl (2S)-2-benzyl-4-[(E)-11-methoxy-11-oxo-undec-2-enyl]-5-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-4-[(E)-11-methoxy-11-oxoundec-2-enyl]-5-oxo-2-(phenylmethyl)-2H-pyrrole-1-carboxylic acid methyl ester IUPAC Name: methyl (2S)-2-benzyl-4-[(E)-11-methoxy-11-oxoundec-2-enyl]-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: (5S)-5-benzyl-2-keto-3-[(E)-11-keto-11-methoxy-undec-2-enyl]-3-pyrroline-1-carboxylic acid methyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCC=CCC1=CC(N(C1=O)C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCCC/C=C/CC1=C[C@@H](N(C1=O)C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C25H33NO5/c1-30-23(27)17-13-8-6-4-3-5-7-12-16-21-19-22(18-20-14-10-9-11-15-20)26(24(21)28)25(29)31-2/h7,9-12,14-15,19,22H,3-6,8,13,16-18H2,1-2H3/b12-7+/t22-/m0/s1