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

Systemtic Name: (phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(3-methoxyphenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(3-methoxybenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(3-methoxybenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-m-anisoyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O5/c1-31-19-10-5-9-18(15-19)22(29)26-13-6-14-27(21(26)20(28)25-12-11-24)23(30)32-16-17-7-3-2-4-8-17/h2-5,7-10,15,21H,6,11-14,16,24H2,1H3,(H,25,28)