2-methoxyethyl 5-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: 2-methoxyethyl 5-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid 2-methoxyethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H28N2O6/c1-13-19(22(26)30-11-10-27-4)15(3)23-20(13)21(25)24-14(2)16-6-7-17-18(12-16)29-9-5-8-28-17/h6-7,12,14,23H,5,8-11H2,1-4H3,(H,24,25)