methyl 2-[(3S,4R)-4-(2,5-dimethoxyphenyl)-5-methoxy-3,4-dihydro-1H-isochromen-3-yl]ethanoate

Systemtic Name: methyl 2-[(3S,4R)-4-(2,5-dimethoxyphenyl)-5-methoxy-3,4-dihydro-1H-isochromen-3-yl]ethanoate Openeye Name: methyl 2-[(3S,4R)-4-(2,5-dimethoxyphenyl)-5-methoxy-isochroman-3-yl]acetate CAS Name: 2-[(3S,4R)-4-(2,5-dimethoxyphenyl)-5-methoxy-3,4-dihydro-1H-2-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,4R)-4-(2,5-dimethoxyphenyl)-5-methoxy-3,4-dihydro-1H-isochromen-3-yl]acetate Traditional Name: 2-[(3S,4R)-4-(2,5-dimethoxyphenyl)-5-methoxy-isochroman-3-yl]acetic acid methyl ester Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(OCC3=C2C(=CC=C3)OC)CC(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2[C@@H](OCC3=C2C(=CC=C3)OC)CC(=O)OC

InChI

InChI=1S/C21H24O6/c1-23-14-8-9-16(24-2)15(10-14)21-18(11-19(22)26-4)27-12-13-6-5-7-17(25-3)20(13)21/h5-10,18,21H,11-12H2,1-4H3/t18-,21-/m0/s1