anthracen-9-ylmethyl 3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propanoate

Systemtic Name: anthracen-9-ylmethyl 3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propanoate Openeye Name: 9-anthrylmethyl 3-[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]propanoate CAS Name: 3-[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]propanoic acid 9-anthracenylmethyl ester IUPAC Name: anthracen-9-ylmethyl 3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propanoate Traditional Name: 3-[(4S)-4-tert-butyl-2-oxazolin-2-yl]propionic acid 9-anthrylmethyl ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC(=N1)CCC(=O)OCC2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)[C@H]1COC(=N1)CCC(=O)OCC2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C25H27NO3/c1-25(2,3)22-16-28-23(26-22)12-13-24(27)29-15-21-19-10-6-4-8-17(19)14-18-9-5-7-11-20(18)21/h4-11,14,22H,12-13,15-16H2,1-3H3/t22-/m1/s1