[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5/c1-15-21(26)23(17-9-5-6-10-18(17)28-15)12-11-20(25)27-14-19(24)22-13-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,24)