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

Systemtic Name: [4-chloranyl-2-[[4-(naphthalen-2-ylcarbonylamino)phenyl]methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl] propanoate Openeye Name: [4-chloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-yl-pyrimidin-5-yl] propanoate CAS Name: propanoic acid [4-chloro-2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]methyl]-6-(1-pyrrolidinyl)-5-pyrimidinyl] ester IUPAC Name: [4-chloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-6-pyrrolidin-1-ylpyrimidin-5-yl] propanoate Traditional Name: propionic acid [4-chloro-2-[4-(2-naphthoylamino)benzyl]-6-pyrrolidino-pyrimidin-5-yl] ester Formula: C29H27ClN4O3 MolecularWeight: 515.00268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(N=C(N=C1Cl)CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)N5CCCC5

Isomeric SMILES

CCC(=O)OC1=C(N=C(N=C1Cl)CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)N5CCCC5

InChI

InChI=1S/C29H27ClN4O3/c1-2-25(35)37-26-27(30)32-24(33-28(26)34-15-5-6-16-34)17-19-9-13-23(14-10-19)31-29(36)22-12-11-20-7-3-4-8-21(20)18-22/h3-4,7-14,18H,2,5-6,15-17H2,1H3,(H,31,36)