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

Systemtic Name: 6-[(1S)-1-azanylethyl]-4-[3-(4-chloranylphenoxy)propyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-4-[3-(4-chlorophenoxy)propyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-4-[3-(4-chlorophenoxy)propyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-4-[3-(4-chlorophenoxy)propyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-4-[3-(4-chlorophenoxy)propyl]-1,4-benzoxazin-3-one Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CCCOC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CCCOC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C19H21ClN2O3/c1-13(21)14-3-8-18-17(11-14)22(19(23)12-25-18)9-2-10-24-16-6-4-15(20)5-7-16/h3-8,11,13H,2,9-10,12,21H2,1H3/t13-/m0/s1