(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(indoline-1-carbonyl)cyclohexanecarboxylate CAS Name: 2-[2,3-dihydroindol-1-yl(oxo)methyl]-1-cyclohexanecarboxylic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: 2-(indoline-1-carbonyl)cyclohexanecarboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3CCCCC3C(=O)N4CCC5=CC=CC=C54)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3CCCCC3C(=O)N4CCC5=CC=CC=C54)C=C1

InChI

InChI=1S/C26H27N3O4/c1-17-10-11-23-27-19(14-24(30)29(23)15-17)16-33-26(32)21-8-4-3-7-20(21)25(31)28-13-12-18-6-2-5-9-22(18)28/h2,5-6,9-11,14-15,20-21H,3-4,7-8,12-13,16H2,1H3