1-[5-(heptanoylamino)-4-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-(heptanoylamino)-4-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(benzylamino)-5-(heptanoylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-(1-oxoheptylamino)-4-[(phenylmethyl)amino]-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(benzylamino)-5-(heptanoylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(benzylamino)-5-(enanthylamino)pyrimidin-2-yl]isonipecotic acid Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CN=C(N=C1NCC2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC1=CN=C(N=C1NCC2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C24H33N5O3/c1-2-3-4-8-11-21(30)27-20-17-26-24(29-14-12-19(13-15-29)23(31)32)28-22(20)25-16-18-9-6-5-7-10-18/h5-7,9-10,17,19H,2-4,8,11-16H2,1H3,(H,27,30)(H,31,32)(H,25,26,28)