[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl] 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxylic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-keto-ethyl] ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N)C

InChI

InChI=1S/C25H25N3O5/c1-15-8-4-5-9-19(15)28-16(2)12-18(17(28)3)25(31)32-14-23(29)27-13-22(24(26)30)33-21-11-7-6-10-20(21)27/h4-12,22H,13-14H2,1-3H3,(H2,26,30)