2-azanyl-3-[4-[4-[(4-cyano-4-phenyl-piperidin-1-yl)methyl]phenyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[4-[(4-cyano-4-phenyl-piperidin-1-yl)methyl]phenyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[4-[(4-cyano-4-phenyl-1-piperidyl)methyl]phenyl]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[4-[(4-cyano-4-phenyl-1-piperidinyl)methyl]phenyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[4-[(4-cyano-4-phenylpiperidin-1-yl)methyl]phenyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[4-[(4-cyano-4-phenyl-piperidino)methyl]phenyl]phenyl]propionic acid Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)CC(C(=O)O)N

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=C(C=C4)CC(C(=O)O)N

InChI

InChI=1S/C28H29N3O2/c29-20-28(25-4-2-1-3-5-25)14-16-31(17-15-28)19-22-8-12-24(13-9-22)23-10-6-21(7-11-23)18-26(30)27(32)33/h1-13,26H,14-19,30H2,(H,32,33)