(phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-methylbenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-methylbenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-p-toluoyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O4/c1-19-8-10-21(11-9-19)26(33)30-16-5-17-31(27(34)35-18-20-6-3-2-4-7-20)25(30)24(32)29-23-14-12-22(28)13-15-23/h2-4,6-11,22-23,25H,5,12-18,28H2,1H3,(H,29,32)