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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCN2C(=O)COC3=C2C=C(C=C3)C(C)N

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCN2C(=O)COC3=C2C=C(C=C3)[C@H](C)N

InChI

InChI=1S/C21H26N2O3/c1-3-16-5-8-18(9-6-16)25-12-4-11-23-19-13-17(15(2)22)7-10-20(19)26-14-21(23)24/h5-10,13,15H,3-4,11-12,14,22H2,1-2H3/t15-/m0/s1