tert-butyl (2S)-5-nonyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-5-nonyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-benzyl-5-nonyl-3-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-5-nonyl-3-oxo-2-(phenylmethyl)-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-benzyl-5-nonyl-3-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-benzyl-3-keto-5-nonyl-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=O)C(N1C(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC1=CC(=O)[C@@H](N1C(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C25H37NO3/c1-5-6-7-8-9-10-14-17-21-19-23(27)22(18-20-15-12-11-13-16-20)26(21)24(28)29-25(2,3)4/h11-13,15-16,19,22H,5-10,14,17-18H2,1-4H3/t22-/m0/s1