ethyl (3R,3aR,7aS)-1-butyl-6-methyl-7-oxidanylidene-3-phenyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyridine-7a-carboxylate

Systemtic Name: ethyl (3R,3aR,7aS)-1-butyl-6-methyl-7-oxidanylidene-3-phenyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyridine-7a-carboxylate Openeye Name: ethyl (3R,3aR,7aS)-1-butyl-6-methyl-7-oxo-3-phenyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyridine-7a-carboxylate CAS Name: (3R,3aR,7aS)-1-butyl-6-methyl-7-oxo-3-phenyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyridine-7a-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,3aR,7aS)-1-butyl-6-methyl-7-oxo-3-phenyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyridine-7a-carboxylate Traditional Name: (3R,3aR,7aS)-1-butyl-7-keto-6-methyl-3-phenyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyridine-7a-carboxylic acid ethyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(C2C1(C(=O)N(CC2)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C[C@H]([C@@H]2[C@]1(C(=O)N(CC2)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C21H30N2O3/c1-4-6-13-23-15-17(16-10-8-7-9-11-16)18-12-14-22(3)19(24)21(18,23)20(25)26-5-2/h7-11,17-18H,4-6,12-15H2,1-3H3/t17-,18+,21-/m0/s1