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

Systemtic Name: 2-[4-(3-aminocarbonylphenyl)-1-(3-ethoxypropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-carbamoylphenyl)-1-(3-ethoxypropyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-carbamoylphenyl)-1-(3-ethoxypropyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-carbamoylphenyl)-1-(3-ethoxypropyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-carbamoylphenyl)-1-(3-ethoxypropyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1CCC(CC1)(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCOCCCN1CCC(CC1)(C2=CC=CC(=C2)C(=O)N)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C22H28N4O4/c1-2-30-12-4-9-26-10-7-22(8-11-26,18-6-3-5-16(13-18)19(23)27)21-24-14-17(15-25-21)20(28)29/h3,5-6,13-15H,2,4,7-12H2,1H3,(H2,23,27)(H,28,29)