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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(3-methylphenyl)-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-methylbenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-m-toluoyl-hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C30H46N4O4 MolecularWeight: 526.71064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N4O4/c1-19(2)25-14-9-21(4)18-26(25)38-30(37)34-16-6-15-33(29(36)22-8-5-7-20(3)17-22)28(34)27(35)32-24-12-10-23(31)11-13-24/h5,7-8,17,19,21,23-26,28H,6,9-16,18,31H2,1-4H3,(H,32,35)