(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(4-aminocyclohexyl)carbamoyl]-3-(m-tolylcarbamoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3-methylanilino)-oxomethyl]-1,3-diazinane-1-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[(4-aminocyclohexyl)carbamoyl]-3-[(3-methylphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(m-tolylcarbamoyl)hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C30H47N5O4 MolecularWeight: 541.72528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC=CC(=C4)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)NC4=CC=CC(=C4)C)C(C)C

InChI

InChI=1S/C30H47N5O4/c1-19(2)25-14-9-21(4)18-26(25)39-30(38)35-16-6-15-34(29(37)33-24-8-5-7-20(3)17-24)28(35)27(36)32-23-12-10-22(31)11-13-23/h5,7-8,17,19,21-23,25-26,28H,6,9-16,18,31H2,1-4H3,(H,32,36)(H,33,37)