1-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-(4-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]isonipecotic acid Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O3/c1-11-15(10-12-2-4-14(19)5-3-12)16(23)21-18(20-11)22-8-6-13(7-9-22)17(24)25/h2-5,13H,6-10H2,1H3,(H,24,25)(H,20,21,23)