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

Systemtic Name: 6-[(1S)-1-azanylethyl]-4-[3-(3-methylphenoxy)propyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-4-[3-(3-methylphenoxy)propyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-4-[3-(3-methylphenoxy)propyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-4-[3-(3-methylphenoxy)propyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-4-[3-(3-methylphenoxy)propyl]-1,4-benzoxazin-3-one Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2C(=O)COC3=C2C=C(C=C3)C(C)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2C(=O)COC3=C2C=C(C=C3)[C@H](C)N

InChI

InChI=1S/C20H24N2O3/c1-14-5-3-6-17(11-14)24-10-4-9-22-18-12-16(15(2)21)7-8-19(18)25-13-20(22)23/h3,5-8,11-12,15H,4,9-10,13,21H2,1-2H3/t15-/m0/s1