1,3-benzodioxol-5-yl 2-[1-(4-methoxyphenyl)-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[1-(4-methoxyphenyl)-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoate Openeye Name: 1,3-benzodioxol-5-yl 2-[1-(4-methoxyphenyl)-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoate CAS Name: 2-[1-(4-methoxyphenyl)-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-[1-(4-methoxyphenyl)-1,3,3a,7a-tetrahydroisoindol-2-yl]propanoate Traditional Name: 2-[1-(4-methoxyphenyl)-1,3,3a,7a-tetrahydroisoindol-2-yl]propionic acid 1,3-benzodioxol-5-yl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC2=C(C=C1)OCO2)N3CC4C=CC=CC4C3C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C(=O)OC1=CC2=C(C=C1)OCO2)N3CC4C=CC=CC4C3C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H25NO5/c1-16(25(27)31-20-11-12-22-23(13-20)30-15-29-22)26-14-18-5-3-4-6-21(18)24(26)17-7-9-19(28-2)10-8-17/h3-13,16,18,21,24H,14-15H2,1-2H3