6-[(1S)-1-azanylpropyl]-4-[3-(4-methylphenoxy)propyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylpropyl]-4-[3-(4-methylphenoxy)propyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminopropyl]-4-[3-(4-methylphenoxy)propyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminopropyl]-4-[3-(4-methylphenoxy)propyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminopropyl]-4-[3-(4-methylphenoxy)propyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminopropyl]-4-[3-(4-methylphenoxy)propyl]-1,4-benzoxazin-3-one Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-3-18(22)16-7-10-20-19(13-16)23(21(24)14-26-20)11-4-12-25-17-8-5-15(2)6-9-17/h5-10,13,18H,3-4,11-12,14,22H2,1-2H3/t18-/m0/s1