cyclohexanecarboxylic acid; 4-phenylbenzaldehyde; 2-phenylethanamine

Systemtic Name: cyclohexanecarboxylic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Openeye Name: cyclohexanecarboxylic acid; 4-phenylbenzaldehyde; 2-phenylethanamine CAS Name: cyclohexanecarboxylic acid; 4-phenylbenzaldehyde; 2-phenylethanamine IUPAC Name: cyclohexanecarboxylic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Traditional Name: cyclohexanecarboxylic acid; phenethylamine; 4-phenylbenzaldehyde Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)O.C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)C2=CC=C(C=C2)C=O

Isomeric SMILES

C1CCC(CC1)C(=O)O.C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H10O.C8H11N.C7H12O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-7-6-8-4-2-1-3-5-8;8-7(9)6-4-2-1-3-5-6/h1-10H;1-5H,6-7,9H2;6H,1-5H2,(H,8,9)