2-[4-(3-aminophenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-aminophenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-aminophenyl)-1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-aminophenyl)-1-(2-methylpentyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-aminophenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-aminophenyl)-1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1CCC(CC1)(C2=CC(=CC=C2)N)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCCC(C)CN1CCC(CC1)(C2=CC(=CC=C2)N)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C22H30N4O2/c1-3-5-16(2)15-26-10-8-22(9-11-26,18-6-4-7-19(23)12-18)21-24-13-17(14-25-21)20(27)28/h4,6-7,12-14,16H,3,5,8-11,15,23H2,1-2H3,(H,27,28)