ethyl 1,1-dimethyl-3-phenyl-5,6,7,8-tetrahydroisochromene-4-carboxylate

Systemtic Name: ethyl 1,1-dimethyl-3-phenyl-5,6,7,8-tetrahydroisochromene-4-carboxylate Openeye Name: ethyl 1,1-dimethyl-3-phenyl-5,6,7,8-tetrahydroisochromene-4-carboxylate CAS Name: 1,1-dimethyl-3-phenyl-5,6,7,8-tetrahydro-2-benzopyran-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1,1-dimethyl-3-phenyl-5,6,7,8-tetrahydroisochromene-4-carboxylate Traditional Name: 1,1-dimethyl-3-phenyl-5,6,7,8-tetrahydroisochromene-4-carboxylic acid ethyl ester Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(C2=C1CCCC2)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC(C2=C1CCCC2)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H24O3/c1-4-22-19(21)17-15-12-8-9-13-16(15)20(2,3)23-18(17)14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3