2-diethylaminoethyl (1R,4aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: 2-diethylaminoethyl (1R,4aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: 2-diethylaminoethyl (1R,4aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl (1R,4aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid 2-diethylaminoethyl ester Formula: C24H37NO3 MolecularWeight: 387.55548

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(CCCC2(C1CCC3=C2C=C(C=C3)OC)C)C

Isomeric SMILES

CCN(CC)CCOC(=O)[C@@]1(CCC[C@]2(C1CCC3=C2C=C(C=C3)OC)C)C

InChI

InChI=1S/C24H37NO3/c1-6-25(7-2)15-16-28-22(26)24(4)14-8-13-23(3)20-17-19(27-5)11-9-18(20)10-12-21(23)24/h9,11,17,21H,6-8,10,12-16H2,1-5H3/t21?,23-,24-/m1/s1