1-[2-[(4-methoxyphenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(4-methoxyphenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(4-methoxyphenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-methoxyphenyl)methylamino]-5-pyrido[4,3-d]pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-methoxyphenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(p-anisylamino)pyrido[4,3-d]pyrimidin-5-yl]nipecotic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=C3C(=N2)C=CN=C3N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=C3C(=N2)C=CN=C3N4CCCC(C4)C(=O)O

InChI

InChI=1S/C21H23N5O3/c1-29-16-6-4-14(5-7-16)11-23-21-24-12-17-18(25-21)8-9-22-19(17)26-10-2-3-15(13-26)20(27)28/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,27,28)(H,23,24,25)