3-[4-[2-azanyl-6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid

Systemtic Name: 3-[4-[2-azanyl-6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[4-[2-amino-6-[4-(1-naphthylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[[2-amino-6-[4-(1-naphthalenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[2-amino-6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[2-amino-6-[4-(1-naphthylmethyl)piperazino]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propionic acid Formula: C35H35N5O4 MolecularWeight: 589.6835

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N)(C(=O)O)OC6=CC=CC=C6

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N)(C(=O)O)OC6=CC=CC=C6

InChI

InChI=1S/C35H35N5O4/c1-35(33(41)42,44-29-11-3-2-4-12-29)23-25-14-16-28(17-15-25)43-32-22-31(37-34(36)38-32)40-20-18-39(19-21-40)24-27-10-7-9-26-8-5-6-13-30(26)27/h2-17,22H,18-21,23-24H2,1H3,(H,41,42)(H2,36,37,38)