methyl (2S)-2-[(3aR,6aS)-5-butyl-4-oxidanylidene-1,3,3a,6a-tetrahydrocyclopenta[c]pyrrol-2-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3aR,6aS)-5-butyl-4-oxidanylidene-1,3,3a,6a-tetrahydrocyclopenta[c]pyrrol-2-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3aR,6aS)-5-butyl-4-oxo-1,3,3a,6a-tetrahydrocyclopenta[c]pyrrol-2-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(3aR,6aS)-5-butyl-4-oxo-1,3,3a,6a-tetrahydrocyclopenta[c]pyrrol-2-yl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3aR,6aS)-5-butyl-4-oxo-1,3,3a,6a-tetrahydrocyclopenta[c]pyrrol-2-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3aR,6aS)-5-butyl-4-keto-1,3,3a,6a-tetrahydrocyclopenta[c]pyrrol-2-yl]-3-phenyl-propionic acid methyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2CN(CC2C1=O)C(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C[C@@H]2CN(C[C@@H]2C1=O)[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H27NO3/c1-3-4-10-16-12-17-13-22(14-18(17)20(16)23)19(21(24)25-2)11-15-8-6-5-7-9-15/h5-9,12,17-19H,3-4,10-11,13-14H2,1-2H3/t17-,18+,19+/m1/s1