2-pyrrolidin-1-ylethyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

Systemtic Name: 2-pyrrolidin-1-ylethyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Openeye Name: 2-pyrrolidin-1-ylethyl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate CAS Name: 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Traditional Name: 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid 2-pyrrolidinoethyl ester Formula: C26H41NO2 MolecularWeight: 399.60924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)OCCN4CCCC4)C

Isomeric SMILES

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)OCCN4CCCC4)C

InChI

InChI=1S/C26H41NO2/c1-19(2)20-8-10-22-21(18-20)9-11-23-25(22,3)12-7-13-26(23,4)24(28)29-17-16-27-14-5-6-15-27/h9,18-19,22-23H,5-8,10-17H2,1-4H3