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

Systemtic Name: 3-(4-cyanophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid Openeye Name: 3-(allylamino)-2-[(allylamino)methyl]-3-(4-cyanophenyl)propanoic acid CAS Name: 3-(4-cyanophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid IUPAC Name: 3-(4-cyanophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid Traditional Name: 3-(allylamino)-2-[(allylamino)methyl]-3-(4-cyanophenyl)propionic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC(C(C1=CC=C(C=C1)C#N)NCC=C)C(=O)O

Isomeric SMILES

C=CCNCC(C(C1=CC=C(C=C1)C#N)NCC=C)C(=O)O

InChI

InChI=1S/C17H21N3O2/c1-3-9-19-12-15(17(21)22)16(20-10-4-2)14-7-5-13(11-18)6-8-14/h3-8,15-16,19-20H,1-2,9-10,12H2,(H,21,22)