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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(4-aminocyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(4-methoxyanilino)-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-[(4-methoxyphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]hexahydropyrimidine-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C30H47N5O5 MolecularWeight: 557.72468

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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=C(C=C4)OC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H47N5O5/c1-19(2)25-15-6-20(3)18-26(25)40-30(38)35-17-5-16-34(29(37)33-23-11-13-24(39-4)14-12-23)28(35)27(36)32-22-9-7-21(31)8-10-22/h11-14,19-22,25-26,28H,5-10,15-18,31H2,1-4H3,(H,32,36)(H,33,37)