cyclohexanamine; 2-oxidanylethanoic acid; 4-phenylbenzaldehyde

Systemtic Name: cyclohexanamine; 2-oxidanylethanoic acid; 4-phenylbenzaldehyde Openeye Name: cyclohexanamine; 2-hydroxyacetic acid; 4-phenylbenzaldehyde CAS Name: cyclohexanamine; 2-hydroxyacetic acid; 4-phenylbenzaldehyde IUPAC Name: cyclohexanamine; 2-hydroxyacetic acid; 4-phenylbenzaldehyde Traditional Name: cyclohexylamine; glycolic acid; 4-phenylbenzaldehyde Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O.C6H13N.C2H4O3/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-10H;6H,1-5,7H2;3H,1H2,(H,4,5)