methyl 4-[2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]acetyl]amino]benzoic acid methyl ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C19H19ClN2O5/c1-25-19(24)12-3-5-13(6-4-12)22-18(23)11-21-15-10-17-16(9-14(15)20)26-7-2-8-27-17/h3-6,9-10,21H,2,7-8,11H2,1H3,(H,22,23)