(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxidanylidene-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Systemtic Name: (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxidanylidene-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid Openeye Name: (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid CAS Name: (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid IUPAC Name: (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid Traditional Name: (4aR,5S,6R,8aR)-5-[2-(2-keto-3-pyrrolin-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C1(C)CCC3=CCNC3=O)CCC=C2C(=O)O)C

Isomeric SMILES

C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CCNC3=O)CCC=C2C(=O)O)C

InChI

InChI=1S/C20H29NO3/c1-13-7-10-20(3)15(18(23)24)5-4-6-16(20)19(13,2)11-8-14-9-12-21-17(14)22/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)(H,23,24)/t13-,16-,19+,20+/m1/s1