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

Systemtic Name: methyl 3-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H22ClNO5/c1-26-20(25)13-17(15-6-3-2-4-7-15)23-19(24)12-14-10-16(22)21-18(11-14)27-8-5-9-28-21/h2-4,6-7,10-11,17H,5,8-9,12-13H2,1H3,(H,23,24)