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

Systemtic Name: 4-methylpentyl 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxy-benzoate Openeye Name: isohexyl 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxy-benzoate CAS Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxybenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxybenzoate Traditional Name: 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl]amino]-3-methoxy-benzoic acid isohexyl ester Formula: C28H41N5O3 MolecularWeight: 495.65684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N5O3/c1-6-21-18-32(4)24-17-29-28(31-26(24)33(21)22-11-7-8-12-22)30-23-14-13-20(16-25(23)35-5)27(34)36-15-9-10-19(2)3/h13-14,16-17,19,21-22H,6-12,15,18H2,1-5H3,(H,29,30,31)/t21-/m1/s1