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

Systemtic Name: ethyl 2-(5-butyl-5-cyclohexyl-4-oxidanylidene-4a,6-dihydrobenzo[h]quinazolin-2-yl)ethanoate Openeye Name: ethyl 2-(5-butyl-5-cyclohexyl-4-oxo-4a,6-dihydrobenzo[h]quinazolin-2-yl)acetate CAS Name: 2-(5-butyl-5-cyclohexyl-4-oxo-4a,6-dihydrobenzo[h]quinazolin-2-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(5-butyl-5-cyclohexyl-4-oxo-4a,6-dihydrobenzo[h]quinazolin-2-yl)acetate Traditional Name: 2-(5-butyl-5-cyclohexyl-4-keto-4a,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=NC(=NC(=O)C31)CC(=O)OCC)C4CCCCC4

Isomeric SMILES

CCCCC1(CC2=CC=CC=C2C3=NC(=NC(=O)C31)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/h9-11,14,19,23H,3-8,12-13,15-17H2,1-2H3