2-oxidanylethanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine

Systemtic Name: 2-oxidanylethanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Openeye Name: 2-hydroxyacetic acid; 4-phenylbenzaldehyde; 2-phenylethanamine CAS Name: 2-hydroxyacetic acid; 4-phenylbenzaldehyde; 2-phenylethanamine IUPAC Name: 2-hydroxyacetic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Traditional Name: glycolic acid; phenethylamine; 4-phenylbenzaldehyde Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O.C8H11N.C2H4O3/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;3-1-2(4)5/h1-10H;1-5H,6-7,9H2;3H,1H2,(H,4,5)