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

Systemtic Name: methyl 3-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H20ClNO5/c1-12-4-5-14(20(24)25-2)11-16(12)22-18(23)10-13-8-15(21)19-17(9-13)26-6-3-7-27-19/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,22,23)