5-cyclopropyl-2-[[2-(3-cyclopropyloxyphenyl)pyrimidin-5-yl]amino]benzoic acid

Systemtic Name: 5-cyclopropyl-2-[[2-(3-cyclopropyloxyphenyl)pyrimidin-5-yl]amino]benzoic acid Openeye Name: 2-[[2-[3-(cyclopropoxy)phenyl]pyrimidin-5-yl]amino]-5-cyclopropyl-benzoic acid CAS Name: 5-cyclopropyl-2-[[2-(3-cyclopropyloxyphenyl)-5-pyrimidinyl]amino]benzoic acid IUPAC Name: 5-cyclopropyl-2-[[2-(3-cyclopropyloxyphenyl)pyrimidin-5-yl]amino]benzoic acid Traditional Name: 2-[[2-[3-(cyclopropoxy)phenyl]pyrimidin-5-yl]amino]-5-cyclopropyl-benzoic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=C(C=C2)NC3=CN=C(N=C3)C4=CC(=CC=C4)OC5CC5)C(=O)O

Isomeric SMILES

C1CC1C2=CC(=C(C=C2)NC3=CN=C(N=C3)C4=CC(=CC=C4)OC5CC5)C(=O)O

InChI

InChI=1S/C23H21N3O3/c27-23(28)20-11-15(14-4-5-14)6-9-21(20)26-17-12-24-22(25-13-17)16-2-1-3-19(10-16)29-18-7-8-18/h1-3,6,9-14,18,26H,4-5,7-8H2,(H,27,28)