2-[2-azanylidene-1-[(2,4-dichlorophenyl)methyl]-3-pentan-2-yl-1,3-diazinan-5-yl]ethanoic acid

Systemtic Name: 2-[2-azanylidene-1-[(2,4-dichlorophenyl)methyl]-3-pentan-2-yl-1,3-diazinan-5-yl]ethanoic acid Openeye Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-imino-3-(1-methylbutyl)hexahydropyrimidin-5-yl]acetic acid CAS Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-imino-3-pentan-2-yl-1,3-diazinan-5-yl]acetic acid IUPAC Name: 2-[1-[(2,4-dichlorophenyl)methyl]-2-imino-3-pentan-2-yl-1,3-diazinan-5-yl]acetic acid Traditional Name: 2-[1-(2,4-dichlorobenzyl)-2-imino-3-(1-methylbutyl)hexahydropyrimidin-5-yl]acetic acid Formula: C18H25Cl2N3O2 MolecularWeight: 386.316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CC(CN(C1=N)CC2=C(C=C(C=C2)Cl)Cl)CC(=O)O

Isomeric SMILES

CCCC(C)N1CC(CN(C1=N)CC2=C(C=C(C=C2)Cl)Cl)CC(=O)O

InChI

InChI=1S/C18H25Cl2N3O2/c1-3-4-12(2)23-10-13(7-17(24)25)9-22(18(23)21)11-14-5-6-15(19)8-16(14)20/h5-6,8,12-13,21H,3-4,7,9-11H2,1-2H3,(H,24,25)