[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] (3aR)-4-methyl-1,5-bis(oxidanylidene)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Systemtic Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] (3aR)-4-methyl-1,5-bis(oxidanylidene)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Openeye Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] (3aR)-4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate CAS Name: (3aR)-4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (3aR)-4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate Traditional Name: (3aR)-1,5-diketo-4-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C23CCC(=O)N2C4=CC=CC=C4C(=O)N3C

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)[C@@]23CCC(=O)N2C4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C23H29N3O5/c1-14-7-6-9-17(15(14)2)24-19(27)13-31-22(30)23-12-11-20(28)26(23)18-10-5-4-8-16(18)21(29)25(23)3/h4-5,8,10,14-15,17H,6-7,9,11-13H2,1-3H3,(H,24,27)/t14-,15+,17+,23+/m0/s1