(phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(3-methylphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(3-methylbenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(3-methylbenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-m-toluoyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c1-17-7-5-10-19(15-17)22(29)26-13-6-14-27(21(26)20(28)25-12-11-24)23(30)31-16-18-8-3-2-4-9-18/h2-5,7-10,15,21H,6,11-14,16,24H2,1H3,(H,25,28)