methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]benzoate CAS Name: 4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]benzoate Traditional Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]benzoic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21NO5/c1-25-21(24)15-6-4-14(5-7-15)20(23)22-10-2-3-17(22)16-8-9-18-19(13-16)27-12-11-26-18/h4-9,13,17H,2-3,10-12H2,1H3/t17-/m0/s1