1,3-benzodioxol-5-yl 2-[1-(4-methoxy-2-oxidanyl-phenyl)-6-propoxy-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[1-(4-methoxy-2-oxidanyl-phenyl)-6-propoxy-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoate Openeye Name: 1,3-benzodioxol-5-yl 2-[1-(2-hydroxy-4-methoxy-phenyl)-6-propoxy-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoate CAS Name: 2-[1-(2-hydroxy-4-methoxyphenyl)-6-propoxy-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-[1-(2-hydroxy-4-methoxyphenyl)-6-propoxy-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoate Traditional Name: 2-[1-(2-hydroxy-4-methoxy-phenyl)-6-propoxy-1,3,3a,7a-tetrahydroisoindol-2-yl]propionic acid 1,3-benzodioxol-5-yl ester Formula: C28H31NO7 MolecularWeight: 493.54824

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2C(CN(C2C3=C(C=C(C=C3)OC)O)C(C)C(=O)OC4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

CCCOC1=CC2C(CN(C2C3=C(C=C(C=C3)OC)O)C(C)C(=O)OC4=CC5=C(C=C4)OCO5)C=C1

InChI

InChI=1S/C28H31NO7/c1-4-11-33-20-6-5-18-15-29(27(23(18)12-20)22-9-7-19(32-3)13-24(22)30)17(2)28(31)36-21-8-10-25-26(14-21)35-16-34-25/h5-10,12-14,17-18,23,27,30H,4,11,15-16H2,1-3H3