1-[5-(carboxymethyl)-6-chloranyl-2-[[4-(naphthalen-2-ylcarbonylamino)phenyl]methyl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-(carboxymethyl)-6-chloranyl-2-[[4-(naphthalen-2-ylcarbonylamino)phenyl]methyl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-(carboxymethyl)-6-chloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-(carboxymethyl)-6-chloro-2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]methyl]-4-pyrimidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(carboxymethyl)-6-chloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-(carboxymethyl)-6-chloro-2-[4-(2-naphthoylamino)benzyl]pyrimidin-4-yl]proline Formula: C29H25ClN4O5 MolecularWeight: 544.9856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC(=N2)CC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4)Cl)CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC(=N2)CC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4)Cl)CC(=O)O)C(=O)O

InChI

InChI=1S/C29H25ClN4O5/c30-26-22(16-25(35)36)27(34-13-3-6-23(34)29(38)39)33-24(32-26)14-17-7-11-21(12-8-17)31-28(37)20-10-9-18-4-1-2-5-19(18)15-20/h1-2,4-5,7-12,15,23H,3,6,13-14,16H2,(H,31,37)(H,35,36)(H,38,39)