tert-butyl 3-[2-methyl-4-[(6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]benzoate

Systemtic Name: tert-butyl 3-[2-methyl-4-[(6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]benzoate Openeye Name: tert-butyl 3-[2-methyl-4-[(6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]benzoate CAS Name: 3-[2-methyl-4-[[6-(1-pyrrolidinyl)-4-pyrido[3,4-d]pyrimidinyl]amino]phenoxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-methyl-4-[(6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]benzoate Traditional Name: 3-[2-methyl-4-[(6-pyrrolidinopyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]benzoic acid tert-butyl ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=CN=C(C=C32)N4CCCC4)OC5=CC=CC(=C5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=CN=C(C=C32)N4CCCC4)OC5=CC=CC(=C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H31N5O3/c1-19-14-21(10-11-25(19)36-22-9-7-8-20(15-22)28(35)37-29(2,3)4)33-27-23-16-26(34-12-5-6-13-34)30-17-24(23)31-18-32-27/h7-11,14-18H,5-6,12-13H2,1-4H3,(H,31,32,33)