2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoate

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoate Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate CAS Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid 2-[4-(2-ethoxyphenyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid 2-(4-o-phenetylpiperazino)ethyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CCOC(=O)CN3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CCOC(=O)CN3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C24H31N3O5/c1-2-31-21-10-6-5-9-20(21)26-13-11-25(12-14-26)15-16-32-22(28)17-27-23(29)18-7-3-4-8-19(18)24(27)30/h3-6,9-10,18-19H,2,7-8,11-17H2,1H3