2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-methyl-butyric acid Formula: C15H20ClNO4 MolecularWeight: 313.7766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C15H20ClNO4/c1-9(2)13(15(18)19)17-8-10-6-11(16)14-12(7-10)20-4-3-5-21-14/h6-7,9,13,17H,3-5,8H2,1-2H3,(H,18,19)