4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxy-benzoic acid

Systemtic Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxy-benzoic acid Openeye Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxy-benzoic acid CAS Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxybenzoic acid IUPAC Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxybenzoic acid Traditional Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxy-benzoic acid Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)O)OC)C

Isomeric SMILES

CC[C@@H]1CN(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)O)OC)C

InChI

InChI=1S/C22H29N5O3/c1-4-15-13-26(2)18-12-23-22(25-20(18)27(15)16-7-5-6-8-16)24-17-10-9-14(21(28)29)11-19(17)30-3/h9-12,15-16H,4-8,13H2,1-3H3,(H,28,29)(H,23,24,25)/t15-/m1/s1