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

Systemtic Name: 4-[[4-(4-carboxyphenyl)pyridin-2-yl]methylcarbamoyl]piperidine-1-carboxylic acid Openeye Name: 4-[[4-(4-carboxyphenyl)-2-pyridyl]methylcarbamoyl]piperidine-1-carboxylic acid CAS Name: 4-[[[4-(4-carboxyphenyl)-2-pyridinyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-(4-carboxyphenyl)pyridin-2-yl]methylcarbamoyl]piperidine-1-carboxylic acid Traditional Name: 4-[[4-(4-carboxyphenyl)-2-pyridyl]methylcarbamoyl]piperidine-1-carboxylic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=NC=CC(=C2)C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=NC=CC(=C2)C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H21N3O5/c24-18(14-6-9-23(10-7-14)20(27)28)22-12-17-11-16(5-8-21-17)13-1-3-15(4-2-13)19(25)26/h1-5,8,11,14H,6-7,9-10,12H2,(H,22,24)(H,25,26)(H,27,28)