[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methyl 2,2-diphenylethanoate

Systemtic Name: [1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methyl 2,2-diphenylethanoate Openeye Name: [1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methyl 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-pyrrolidinyl]methyl ester IUPAC Name: [1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methyl 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)N3CCC(C3)COC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)N3CCC(C3)COC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29NO4/c1-20(24-12-13-25-26(16-24)33-19-32-25)29-15-14-21(17-29)18-31-28(30)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,16,20-21,27H,14-15,17-19H2,1H3