[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)OCC(=O)N3CCCCCCC3

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)OCC(=O)N3CCCCCCC3

InChI

InChI=1S/C20H26N2O5/c1-15(23)22-13-18(27-17-10-6-5-9-16(17)22)20(25)26-14-19(24)21-11-7-3-2-4-8-12-21/h5-6,9-10,18H,2-4,7-8,11-14H2,1H3/t18-/m0/s1