ethyl (2S)-2-ethoxy-3-[4-[3-(7-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoate

Systemtic Name: ethyl (2S)-2-ethoxy-3-[4-[3-(7-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoate Openeye Name: ethyl (2S)-2-ethoxy-3-[4-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoate CAS Name: (2S)-2-ethoxy-3-[4-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-ethoxy-3-[4-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propanoate Traditional Name: (2S)-2-ethoxy-3-[4-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]propionic acid ethyl ester Formula: C24H31FN2O4 MolecularWeight: 430.512343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NCCCN2CCOC3=C2C=CC(=C3)F)C(=O)OCC

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)NCCCN2CCOC3=C2C=CC(=C3)F)C(=O)OCC

InChI

InChI=1S/C24H31FN2O4/c1-3-29-23(24(28)30-4-2)16-18-6-9-20(10-7-18)26-12-5-13-27-14-15-31-22-17-19(25)8-11-21(22)27/h6-11,17,23,26H,3-5,12-16H2,1-2H3/t23-/m0/s1