methyl 2-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H21ClN2O6/c1-24(12-18(25)23-16-7-4-3-6-14(16)21(27)28-2)20(26)13-10-15(22)19-17(11-13)29-8-5-9-30-19/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,23,25)