(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-azanylethylcarbamoyl)-3-(4-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-aminoethylcarbamoyl)-3-(4-methylbenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(2-aminoethylcarbamoyl)-3-(4-methylbenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-p-toluoyl-hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H40N4O4 MolecularWeight: 472.6202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(C=C3)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(C=C3)C)C(C)C

InChI

InChI=1S/C26H40N4O4/c1-17(2)21-11-8-19(4)16-22(21)34-26(33)30-15-5-14-29(24(30)23(31)28-13-12-27)25(32)20-9-6-18(3)7-10-20/h6-7,9-10,17,19,21-22,24H,5,8,11-16,27H2,1-4H3,(H,28,31)