2-[4-chloranyl-2-[[4-(naphthalen-2-ylcarbonylamino)phenyl]methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[[4-(naphthalen-2-ylcarbonylamino)phenyl]methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-chloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-chloro-2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]methyl]-6-(1-pyrrolidinyl)-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4-chloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid Traditional Name: 2-[4-chloro-2-[4-(2-naphthoylamino)benzyl]-6-pyrrolidino-pyrimidin-5-yl]acetic acid Formula: C28H25ClN4O3 MolecularWeight: 500.9761

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)CC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4)Cl)CC(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)CC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4)Cl)CC(=O)O

InChI

InChI=1S/C28H25ClN4O3/c29-26-23(17-25(34)35)27(33-13-3-4-14-33)32-24(31-26)15-18-7-11-22(12-8-18)30-28(36)21-10-9-19-5-1-2-6-20(19)16-21/h1-2,5-12,16H,3-4,13-15,17H2,(H,30,36)(H,34,35)