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

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-[(4-methoxyphenyl)carbamoyl]-1,3-diazinane-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O5/c1-36-23-14-12-22(13-15-23)30-26(34)31-16-5-17-32(27(35)37-18-19-6-3-2-4-7-19)25(31)24(33)29-21-10-8-20(28)9-11-21/h2-4,6-7,12-15,20-21,25H,5,8-11,16-18,28H2,1H3,(H,29,33)(H,30,34)