ethyl 2-[(5R)-5-butyl-5-cyclohexyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(5R)-5-butyl-5-cyclohexyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl]ethanoate Openeye Name: ethyl 2-[(5R)-5-butyl-5-cyclohexyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl]acetate CAS Name: 2-[(5R)-5-butyl-5-cyclohexyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5R)-5-butyl-5-cyclohexyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl]acetate Traditional Name: 2-[(5R)-5-butyl-5-cyclohexyl-4-keto-1,6-dihydrobenzo[h]quinazolin-2-yl]acetic acid ethyl ester Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)CC(=O)OCC)C4CCCCC4

Isomeric SMILES

CCCC[C@@]1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)CC(=O)OCC)C4CCCCC4

InChI

InChI=1S/C26H34N2O3/c1-3-5-15-26(19-12-7-6-8-13-19)17-18-11-9-10-14-20(18)24-23(26)25(30)28-21(27-24)16-22(29)31-4-2/h9-11,14,19H,3-8,12-13,15-17H2,1-2H3,(H,27,28,30)/t26-/m1/s1