2-[3-[4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxidanylidene-propyl]-4,6-dimethyl-benzoic acid

Systemtic Name: 2-[3-[4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxidanylidene-propyl]-4,6-dimethyl-benzoic acid Openeye Name: 2-[3-[4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-propyl]-4,6-dimethyl-benzoic acid CAS Name: 2-[3-[4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridinyl)-1-piperazinyl]-2,2-dimethyl-3-oxopropyl]-4,6-dimethylbenzoic acid IUPAC Name: 2-[3-[4-(5-cyano-3-ethoxycarbonyl-6-methylpyridin-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropyl]-4,6-dimethylbenzoic acid Traditional Name: 2-[3-[4-(3-carbethoxy-5-cyano-6-methyl-2-pyridyl)piperazino]-3-keto-2,2-dimethyl-propyl]-4,6-dimethyl-benzoic acid Formula: C28H34N4O5 MolecularWeight: 506.59336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)C(C)(C)CC3=CC(=CC(=C3C(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)C(C)(C)CC3=CC(=CC(=C3C(=O)O)C)C

InChI

InChI=1S/C28H34N4O5/c1-7-37-26(35)22-14-21(16-29)19(4)30-24(22)31-8-10-32(11-9-31)27(36)28(5,6)15-20-13-17(2)12-18(3)23(20)25(33)34/h12-14H,7-11,15H2,1-6H3,(H,33,34)