2-methylpropyl (2S)-2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: 2-methylpropyl (2S)-2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: isobutyl (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid isobutyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)C(CC)C(=O)OCC(C)C

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)[C@@H](CC)C(=O)OCC(C)C

InChI

InChI=1S/C20H29NO4/c1-6-16-11-21(17(7-2)20(23)24-12-13(3)4)18-10-15(14(5)22)8-9-19(18)25-16/h8-10,13,16-17H,6-7,11-12H2,1-5H3/t16-,17-/m0/s1