(1R,3S)-1,3-dimethyl-5-phenylmethoxy-9-propan-2-yloxy-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylic acid

Systemtic Name: (1R,3S)-1,3-dimethyl-5-phenylmethoxy-9-propan-2-yloxy-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylic acid Openeye Name: (1R,3S)-5-benzyloxy-9-isopropoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylic acid CAS Name: (1R,3S)-1,3-dimethyl-5-phenylmethoxy-9-propan-2-yloxy-3,4-dihydro-1H-benzo[g][2]benzopyran-7-carboxylic acid IUPAC Name: (1R,3S)-1,3-dimethyl-5-phenylmethoxy-9-propan-2-yloxy-3,4-dihydro-1H-benzo[g]isochromene-7-carboxylic acid Traditional Name: (1R,3S)-5-benzoxy-9-isopropoxy-1,3-dimethyl-3,4-dihydro-1H-benz[g]isochromene-7-carboxylic acid Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C3=CC(=CC(=C3C=C2C(O1)C)OC(C)C)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC2=C(C3=CC(=CC(=C3C=C2[C@H](O1)C)OC(C)C)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28O5/c1-15(2)30-24-12-19(26(27)28)11-23-21(24)13-20-17(4)31-16(3)10-22(20)25(23)29-14-18-8-6-5-7-9-18/h5-9,11-13,15-17H,10,14H2,1-4H3,(H,27,28)/t16-,17+/m0/s1