[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H29NO5/c1-17(2)20-9-11-21(12-10-20)27(30)32-16-24(29)23-13-18(3)28(19(23)4)14-22-15-31-25-7-5-6-8-26(25)33-22/h5-13,17,22H,14-16H2,1-4H3