6-[(1S)-1-azanylethyl]-4-[2-(4-chloranylphenoxy)ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylethyl]-4-[2-(4-chloranylphenoxy)ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-4-[2-(4-chlorophenoxy)ethyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-4-[2-(4-chlorophenoxy)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-4-[2-(4-chlorophenoxy)ethyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-4-[2-(4-chlorophenoxy)ethyl]-1,4-benzoxazin-3-one Formula: C18H19ClN2O3 MolecularWeight: 346.80806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CCOC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CCOC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H19ClN2O3/c1-12(20)13-2-7-17-16(10-13)21(18(22)11-24-17)8-9-23-15-5-3-14(19)4-6-15/h2-7,10,12H,8-9,11,20H2,1H3/t12-/m0/s1