O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester O4-methyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)C)C(=O)OC

InChI

InChI=1S/C21H24N2O7/c1-4-14-18(20(25)27-3)12(2)19(23-14)21(26)30-11-17(24)22-13-6-7-15-16(10-13)29-9-5-8-28-15/h6-7,10,23H,4-5,8-9,11H2,1-3H3,(H,22,24)