3-acetamido-3-(3-methyl-4-phenyl-phenyl)propanoate; 3-(pyridin-2-ylamino)piperidin-2-one

Systemtic Name: 3-acetamido-3-(3-methyl-4-phenyl-phenyl)propanoate; 3-(pyridin-2-ylamino)piperidin-2-one Openeye Name: 3-acetamido-3-(3-methyl-4-phenyl-phenyl)propanoate; 3-(2-pyridylamino)piperidin-2-one CAS Name: 3-acetamido-3-(3-methyl-4-phenylphenyl)propanoate; 3-(2-pyridinylamino)-2-piperidinone IUPAC Name: 3-acetamido-3-(3-methyl-4-phenylphenyl)propanoate; 3-(pyridin-2-ylamino)piperidin-2-one Traditional Name: 3-acetamido-3-(3-methyl-4-phenyl-phenyl)propionate; 3-(2-pyridylamino)-2-piperidone Formula: C28H31N4O4- MolecularWeight: 487.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC(=O)[O-])NC(=O)C)C2=CC=CC=C2.C1CC(C(=O)NC1)NC2=CC=CC=N2

Isomeric SMILES

CC1=C(C=CC(=C1)C(CC(=O)[O-])NC(=O)C)C2=CC=CC=C2.C1CC(C(=O)NC1)NC2=CC=CC=N2

InChI

InChI=1S/C18H19NO3.C10H13N3O/c1-12-10-15(17(11-18(21)22)19-13(2)20)8-9-16(12)14-6-4-3-5-7-14;14-10-8(4-3-7-12-10)13-9-5-1-2-6-11-9/h3-10,17H,11H2,1-2H3,(H,19,20)(H,21,22);1-2,5-6,8H,3-4,7H2,(H,11,13)(H,12,14)/p-1