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

Systemtic Name: 3-methylbutyl (2S)-2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate Openeye Name: isopentyl (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propionic acid isoamyl 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(C)C(=O)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4/c1-6-17-12-21(14(4)20(23)24-10-9-13(2)3)18-11-16(15(5)22)7-8-19(18)25-17/h7-8,11,13-14,17H,6,9-10,12H2,1-5H3/t14-,17-/m0/s1