cyclohexanamine; 4-phenylbenzaldehyde; 2-phenylethanoic acid

Systemtic Name: cyclohexanamine; 4-phenylbenzaldehyde; 2-phenylethanoic acid Openeye Name: cyclohexanamine; 2-phenylacetic acid; 4-phenylbenzaldehyde CAS Name: cyclohexanamine; 2-phenylacetic acid; 4-phenylbenzaldehyde IUPAC Name: cyclohexanamine; 2-phenylacetic acid; 4-phenylbenzaldehyde Traditional Name: cyclohexylamine; 2-phenylacetic acid; 4-phenylbenzaldehyde Formula: C27H31NO3 MolecularWeight: 417.53994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O.C8H8O2.C6H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-8(10)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-10H;1-5H,6H2,(H,9,10);6H,1-5,7H2