1-azanyl-1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-pentan-3-ol; (E)-but-2-enedioic acid

Systemtic Name: 1-azanyl-1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-pentan-3-ol; (E)-but-2-enedioic acid Openeye Name: 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-pentan-3-ol; fumaric acid CAS Name: 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-3-pentanol; (E)-2-butenedioic acid IUPAC Name: 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol; (E)-but-2-enedioic acid Traditional Name: 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-pentan-3-ol; fumaric acid Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C1(CCC1)C2=CC=C(C=C2)Cl)N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C)(CC(C1(CCC1)C2=CC=C(C=C2)Cl)N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24ClNO.C4H4O4/c1-3-15(2,19)11-14(18)16(9-4-10-16)12-5-7-13(17)8-6-12;5-3(6)1-2-4(7)8/h5-8,14,19H,3-4,9-11,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+