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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCCN2C(=O)COC3=C2C=C(C=C3)C(C)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCN2C(=O)COC3=C2C=C(C=C3)[C@H](C)N

InChI

InChI=1S/C21H26N2O3/c1-15-6-5-7-18(12-15)25-11-4-3-10-23-19-13-17(16(2)22)8-9-20(19)26-14-21(23)24/h5-9,12-13,16H,3-4,10-11,14,22H2,1-2H3/t16-/m0/s1