[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-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-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-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-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H27N3O5/c1-16(27)26-14-21(31-20-8-6-5-7-19(20)26)23(29)30-15-22(28)25(4)13-17-9-11-18(12-10-17)24(2)3/h5-12,21H,13-15H2,1-4H3/t21-/m0/s1