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

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(3-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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