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

Systemtic Name: 2-[4-methyl-2-[[4-(naphthalen-2-ylcarbonylamino)phenyl]methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]methyl]-6-(1-pyrrolidinyl)-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4-methyl-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl]acetic acid Traditional Name: 2-[4-methyl-2-[4-(2-naphthoylamino)benzyl]-6-pyrrolidino-pyrimidin-5-yl]acetic acid Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)N5CCCC5)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)N5CCCC5)CC(=O)O

InChI

InChI=1S/C29H28N4O3/c1-19-25(18-27(34)35)28(33-14-4-5-15-33)32-26(30-19)16-20-8-12-24(13-9-20)31-29(36)23-11-10-21-6-2-3-7-22(21)17-23/h2-3,6-13,17H,4-5,14-16,18H2,1H3,(H,31,36)(H,34,35)