quinazolin-4-yl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

Systemtic Name: quinazolin-4-yl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Openeye Name: quinazolin-4-yl 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate CAS Name: 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid 4-quinazolinyl ester IUPAC Name: quinazolin-4-yl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Traditional Name: 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid quinazolin-4-yl ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)OC4=NC=NC5=CC=CC=C54)C

Isomeric SMILES

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)OC4=NC=NC5=CC=CC=C54)C

InChI

InChI=1S/C28H34N2O2/c1-18(2)19-10-12-22-20(16-19)11-13-24-27(22,3)14-7-15-28(24,4)26(31)32-25-21-8-5-6-9-23(21)29-17-30-25/h5-6,8-9,11,16-18,22,24H,7,10,12-15H2,1-4H3