(phenylmethyl) 3-[1,3-dimethyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[1,3-dimethyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: benzyl 3-(1,3-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1,3-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(2,5-diketo-1,3-dimethyl-3H-1,4-benzodiazepin-4-yl)propionic acid benzyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2C(=O)N1CCC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2C(=O)N1CCC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O4/c1-15-20(25)22(2)18-11-7-6-10-17(18)21(26)23(15)13-12-19(24)27-14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3