2-[[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]methyl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]methyl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[[4-[4-(1H-benzimidazol-2-ylamino)-1-piperidyl]-5-methyl-2-oxo-pyrimidin-1-yl]methyl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[[4-[4-(1H-benzimidazol-2-ylamino)-1-piperidinyl]-5-methyl-2-oxo-1-pyrimidinyl]methyl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-5-methyl-2-oxopyrimidin-1-yl]methyl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[[4-[4-(1H-benzimidazol-2-ylamino)piperidino]-2-keto-5-methyl-pyrimidin-1-yl]methyl]-3-(2-naphthyl)propionic acid Formula: C31H32N6O3 MolecularWeight: 536.62418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCC(CC2)NC3=NC4=CC=CC=C4N3)CC(CC5=CC6=CC=CC=C6C=C5)C(=O)O

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCC(CC2)NC3=NC4=CC=CC=C4N3)CC(CC5=CC6=CC=CC=C6C=C5)C(=O)O

InChI

InChI=1S/C31H32N6O3/c1-20-18-37(19-24(29(38)39)17-21-10-11-22-6-2-3-7-23(22)16-21)31(40)35-28(20)36-14-12-25(13-15-36)32-30-33-26-8-4-5-9-27(26)34-30/h2-11,16,18,24-25H,12-15,17,19H2,1H3,(H,38,39)(H2,32,33,34)