[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C24H24N2O5/c1-16-4-5-17(2)26(16)20-9-6-18(7-10-20)24(28)31-15-23(27)25-19-8-11-21-22(14-19)30-13-3-12-29-21/h4-11,14H,3,12-13,15H2,1-2H3,(H,25,27)