3-(4-cyanophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid

Systemtic Name: 3-(4-cyanophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid Openeye Name: 3-(4-cyanophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid CAS Name: 3-(4-cyanophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid IUPAC Name: 3-(4-cyanophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propanoic acid Traditional Name: 3-(4-cyanophenyl)-3-(phenethylamino)-2-[(phenethylamino)methyl]propionic acid Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC(C(C2=CC=C(C=C2)C#N)NCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC(C(C2=CC=C(C=C2)C#N)NCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H29N3O2/c28-19-23-11-13-24(14-12-23)26(30-18-16-22-9-5-2-6-10-22)25(27(31)32)20-29-17-15-21-7-3-1-4-8-21/h1-14,25-26,29-30H,15-18,20H2,(H,31,32)