2-[bis(2-cyanoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[bis(2-cyanoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[bis(2-cyanoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[bis(2-cyanoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[bis(2-cyanoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[bis(2-cyanoethyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N(CCC#N)CCC#N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N(CCC#N)CCC#N)O

InChI

InChI=1S/C15H17N3O3/c16-7-1-9-18(10-2-8-17)14(15(20)21)11-12-3-5-13(19)6-4-12/h3-6,14,19H,1-2,9-11H2,(H,20,21)