(4-nitrophenyl) 2,2-dimethyl-7-(2-methylpropyl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate

Systemtic Name: (4-nitrophenyl) 2,2-dimethyl-7-(2-methylpropyl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate Openeye Name: (4-nitrophenyl) 5-benzyloxy-7-isobutyl-2,2-dimethyl-chromane-4-carboxylate CAS Name: 2,2-dimethyl-7-(2-methylpropyl)-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2,2-dimethyl-7-(2-methylpropyl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate Traditional Name: 5-benzoxy-7-isobutyl-2,2-dimethyl-chroman-4-carboxylic acid (4-nitrophenyl) ester Formula: C29H31NO6 MolecularWeight: 489.55954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C(CC(O2)(C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(=C1)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC2=C(C(CC(O2)(C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(=C1)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31NO6/c1-19(2)14-21-15-25(34-18-20-8-6-5-7-9-20)27-24(17-29(3,4)36-26(27)16-21)28(31)35-23-12-10-22(11-13-23)30(32)33/h5-13,15-16,19,24H,14,17-18H2,1-4H3