ethyl 8a-morpholin-4-yl-4-(3-nitrophenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate

Systemtic Name: ethyl 8a-morpholin-4-yl-4-(3-nitrophenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate Openeye Name: ethyl 8a-morpholino-4-(3-nitrophenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate CAS Name: 8a-(4-morpholinyl)-4-(3-nitrophenyl)-2-phenyl-4,4a,5,6,7,8-hexahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8a-morpholin-4-yl-4-(3-nitrophenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrochromene-3-carboxylate Traditional Name: 8a-morpholino-4-(3-nitrophenyl)-2-phenyl-4,4a,5,6,7,8-hexahydrochromene-3-carboxylic acid ethyl ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2(CCCCC2C1C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2(CCCCC2C1C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N2O6/c1-2-35-27(31)25-24(21-11-8-12-22(19-21)30(32)33)23-13-6-7-14-28(23,29-15-17-34-18-16-29)36-26(25)20-9-4-3-5-10-20/h3-5,8-12,19,23-24H,2,6-7,13-18H2,1H3