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

Systemtic Name: 2-[4-chloranyl-6-[methyl(propan-2-yl)amino]-2-[[4-(naphthalen-2-ylcarbonylamino)phenyl]methyl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-chloro-6-[isopropyl(methyl)amino]-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid CAS Name: 2-[4-chloro-6-[methyl(propan-2-yl)amino]-2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]methyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4-chloro-6-[methyl(propan-2-yl)amino]-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-chloro-6-[isopropyl(methyl)amino]-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:

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

Isomeric SMILES

CC(C)N(C)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/c1-17(2)33(3)27-23(16-25(34)35)26(29)31-24(32-27)14-18-8-12-22(13-9-18)30-28(36)21-11-10-19-6-4-5-7-20(19)15-21/h4-13,15,17H,14,16H2,1-3H3,(H,30,36)(H,34,35)