2-[4-(3-aminocarbonylphenyl)-1-(2-phenylmethoxyethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-aminocarbonylphenyl)-1-(2-phenylmethoxyethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-(2-benzyloxyethyl)-4-(3-carbamoylphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-carbamoylphenyl)-1-(2-phenylmethoxyethyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-carbamoylphenyl)-1-(2-phenylmethoxyethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-(2-benzoxyethyl)-4-(3-carbamoylphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O)CCOCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O)CCOCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c27-23(31)20-7-4-8-22(15-20)26(25-28-16-21(17-29-25)24(32)33)9-11-30(12-10-26)13-14-34-18-19-5-2-1-3-6-19/h1-8,15-17H,9-14,18H2,(H2,27,31)(H,32,33)