[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C21H25NO4/c1-13(2)26-18-9-5-16(6-10-18)21(24)25-12-20(23)19-11-14(3)22(15(19)4)17-7-8-17/h5-6,9-11,13,17H,7-8,12H2,1-4H3