3-[3-chloranyl-4-(3-phenylpropoxy)phenyl]-2-methyl-propanoic acid; cyclohexanamine

Systemtic Name: 3-[3-chloranyl-4-(3-phenylpropoxy)phenyl]-2-methyl-propanoic acid; cyclohexanamine Openeye Name: 3-[3-chloro-4-(3-phenylpropoxy)phenyl]-2-methyl-propanoic acid; cyclohexanamine CAS Name: 3-[3-chloro-4-(3-phenylpropoxy)phenyl]-2-methylpropanoic acid; cyclohexanamine IUPAC Name: 3-[3-chloro-4-(3-phenylpropoxy)phenyl]-2-methylpropanoic acid; cyclohexanamine Traditional Name: 3-[3-chloro-4-(3-phenylpropoxy)phenyl]-2-methyl-propionic acid; cyclohexylamine Formula: C25H34ClNO3 MolecularWeight: 431.99536

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OCCCC2=CC=CC=C2)Cl)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OCCCC2=CC=CC=C2)Cl)C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C19H21ClO3.C6H13N/c1-14(19(21)22)12-16-9-10-18(17(20)13-16)23-11-5-8-15-6-3-2-4-7-15;7-6-4-2-1-3-5-6/h2-4,6-7,9-10,13-14H,5,8,11-12H2,1H3,(H,21,22);6H,1-5,7H2