2-acetamido-3-phenyl-propanoic acid; 2-[(4-chlorophenyl)-piperidin-4-yloxy-methyl]pyridine

Systemtic Name: 2-acetamido-3-phenyl-propanoic acid; 2-[(4-chlorophenyl)-piperidin-4-yloxy-methyl]pyridine Openeye Name: 2-acetamido-3-phenyl-propanoic acid; 2-[(4-chlorophenyl)-(4-piperidyloxy)methyl]pyridine CAS Name: 2-acetamido-3-phenylpropanoic acid; 2-[(4-chlorophenyl)-(4-piperidinyloxy)methyl]pyridine IUPAC Name: 2-acetamido-3-phenylpropanoic acid; 2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine Traditional Name: 2-acetamido-3-phenyl-propionic acid; 2-[(4-chlorophenyl)-(4-piperidyloxy)methyl]pyridine Formula: C28H32ClN3O4 MolecularWeight: 510.02438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C17H19ClN2O.C11H13NO3/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h1-7,10,15,17,19H,8-9,11-12H2;2-6,10H,7H2,1H3,(H,12,13)(H,14,15)