ethyl 5-[4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]pentanoate

Systemtic Name: ethyl 5-[4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]pentanoate Openeye Name: ethyl 5-[4,5-dimethoxy-2-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]pentanoate CAS Name: 5-[4,5-dimethoxy-2-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]pentanoate Traditional Name: 5-[4,5-dimethoxy-2-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]valeric acid ethyl ester Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC)OC

Isomeric SMILES

CCOC(=O)CCCCC1=CC(=C(C=C1NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC)OC

InChI

InChI=1S/C28H31N5O4/c1-4-37-27(34)12-8-6-10-20-16-24(35-2)25(36-3)17-23(20)32-28-29-14-13-26(33-28)31-21-15-19-9-5-7-11-22(19)30-18-21/h5,7,9,11,13-18H,4,6,8,10,12H2,1-3H3,(H2,29,31,32,33)