(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H20ClNO5 MolecularWeight: 365.8081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)C(C)C

InChI

InChI=1S/C18H20ClNO5/c1-10(2)16-15(11(3)20-25-16)18(21)24-9-12-7-13(19)17-14(8-12)22-5-4-6-23-17/h7-8,10H,4-6,9H2,1-3H3