4-(4-chlorophenyl)-4-oxidanyl-2-(pyrrolidin-1-ylmethyl)butanamide hydrate

Systemtic Name: 4-(4-chlorophenyl)-4-oxidanyl-2-(pyrrolidin-1-ylmethyl)butanamide hydrate Openeye Name: 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide hydrate CAS Name: 4-(4-chlorophenyl)-4-hydroxy-2-(1-pyrrolidinylmethyl)butanamide hydrate IUPAC Name: 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide hydrate Traditional Name: 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidinomethyl)butyramide hydrate Formula: C30H44Cl2N4O5 MolecularWeight: 611.60016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(CC(C2=CC=C(C=C2)Cl)O)C(=O)N.C1CCN(C1)CC(CC(C2=CC=C(C=C2)Cl)O)C(=O)N.O

Isomeric SMILES

C1CCN(C1)CC(CC(C2=CC=C(C=C2)Cl)O)C(=O)N.C1CCN(C1)CC(CC(C2=CC=C(C=C2)Cl)O)C(=O)N.O

InChI

InChI=1S/2C15H21ClN2O2.H2O/c2*16-13-5-3-11(4-6-13)14(19)9-12(15(17)20)10-18-7-1-2-8-18;/h2*3-6,12,14,19H,1-2,7-10H2,(H2,17,20);1H2