ethyl (4E)-3-ethyl-6-propan-2-yl-1,2,6,7-tetrahydroazocino[5,4-b]indole-5-carboxylate

Systemtic Name: ethyl (4E)-3-ethyl-6-propan-2-yl-1,2,6,7-tetrahydroazocino[5,4-b]indole-5-carboxylate Openeye Name: ethyl (4E)-3-ethyl-6-isopropyl-1,2,6,7-tetrahydroazocino[5,4-b]indole-5-carboxylate CAS Name: (4E)-3-ethyl-6-propan-2-yl-1,2,6,7-tetrahydroazocino[5,4-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E)-3-ethyl-6-propan-2-yl-1,2,6,7-tetrahydroazocino[5,4-b]indole-5-carboxylate Traditional Name: (4E)-3-ethyl-6-isopropyl-1,2,6,7-tetrahydroazocin[5,4-b]indole-5-carboxylic acid ethyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C(C(=C1)C(=O)OCC)C(C)C)NC3=CC=CC=C23

Isomeric SMILES

CCN/1CCC2=C(C(/C(=C1)/C(=O)OCC)C(C)C)NC3=CC=CC=C23

InChI

InChI=1S/C21H28N2O2/c1-5-23-12-11-16-15-9-7-8-10-18(15)22-20(16)19(14(3)4)17(13-23)21(24)25-6-2/h7-10,13-14,19,22H,5-6,11-12H2,1-4H3/b17-13+