[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC(=O)C4=CC=CN4C

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC(=O)C4=CC=CN4C

InChI

InChI=1S/C26H29N3O4/c1-26(2,3)16-11-12-20-18(14-16)23(17-8-5-6-9-19(17)27-20)25(32)33-15-22(30)28-24(31)21-10-7-13-29(21)4/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,28,30,31)/t16-/m1/s1