ethyl 3-[4-[(2S)-2-acetyloxypropanoyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-[(2S)-2-acetyloxypropanoyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-[(2S)-2-acetoxypropanoyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(2S)-2-acetyloxy-1-oxopropyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[(2S)-2-acetyloxypropanoyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-[(2S)-2-acetoxypropanoyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C(C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)[C@H](C)OC(=O)C

InChI

InChI=1S/C21H26N4O5/c1-4-29-21(28)18-19(23-17-9-6-5-8-16(17)22-18)24-10-7-11-25(13-12-24)20(27)14(2)30-15(3)26/h5-6,8-9,14H,4,7,10-13H2,1-3H3/t14-/m0/s1