butanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine

Systemtic Name: butanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Openeye Name: butyric acid; 4-phenylbenzaldehyde; 2-phenylethanamine CAS Name: butanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine IUPAC Name: butanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Traditional Name: butyric acid; phenethylamine; 4-phenylbenzaldehyde Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=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.C4H8O2/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;1-2-3-4(5)6/h1-10H;1-5H,6-7,9H2;2-3H2,1H3,(H,5,6)