(phenylmethyl) 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-diazinane-4-carboxylate

Systemtic Name: (phenylmethyl) 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-diazinane-4-carboxylate Openeye Name: benzyl 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-hexahydropyrimidine-4-carboxylate CAS Name: 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-diazinane-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-1,3-diazinane-4-carboxylate Traditional Name: 1-tert-butyl-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-hexahydropyrimidine-4-carboxylic acid benzyl ester Formula: C28H29Cl2N3O2 MolecularWeight: 510.45476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC(N(C1=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1CCC(N(C1=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29Cl2N3O2/c1-28(2,3)32-18-17-25(26(34)35-19-20-7-5-4-6-8-20)33(24-15-11-22(30)12-16-24)27(32)31-23-13-9-21(29)10-14-23/h4-16,25H,17-19H2,1-3H3