4-[[4-(4-methoxycarbonylphenyl)pyridin-2-yl]methylcarbamoyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-(4-methoxycarbonylphenyl)pyridin-2-yl]methylcarbamoyl]piperidine-1-carboxylic acid Openeye Name: 4-[[4-(4-methoxycarbonylphenyl)-2-pyridyl]methylcarbamoyl]piperidine-1-carboxylic acid CAS Name: 4-[[[4-(4-methoxycarbonylphenyl)-2-pyridinyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-(4-methoxycarbonylphenyl)pyridin-2-yl]methylcarbamoyl]piperidine-1-carboxylic acid Traditional Name: 4-[[4-(4-carbomethoxyphenyl)-2-pyridyl]methylcarbamoyl]piperidine-1-carboxylic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=NC=C2)CNC(=O)C3CCN(CC3)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=NC=C2)CNC(=O)C3CCN(CC3)C(=O)O

InChI

InChI=1S/C21H23N3O5/c1-29-20(26)16-4-2-14(3-5-16)17-6-9-22-18(12-17)13-23-19(25)15-7-10-24(11-8-15)21(27)28/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,23,25)(H,27,28)