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

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)-2-[[4-(naphthalen-2-ylcarbonylamino)phenyl]methyl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-chloro-6-(diethylamino)-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid CAS Name: 2-[4-chloro-6-(diethylamino)-2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]methyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4-chloro-6-(diethylamino)-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-chloro-6-(diethylamino)-2-[4-(2-naphthoylamino)benzyl]pyrimidin-5-yl]acetic acid Formula: C28H27ClN4O3 MolecularWeight: 502.99198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)Cl)CC(=O)O

Isomeric SMILES

CCN(CC)C1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)Cl)CC(=O)O

InChI

InChI=1S/C28H27ClN4O3/c1-3-33(4-2)27-23(17-25(34)35)26(29)31-24(32-27)15-18-9-13-22(14-10-18)30-28(36)21-12-11-19-7-5-6-8-20(19)16-21/h5-14,16H,3-4,15,17H2,1-2H3,(H,30,36)(H,34,35)