2-[1-[4-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]phenyl]-4-formamido-2-methyl-piperidin-2-yl]ethanoic acid

Systemtic Name: 2-[1-[4-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]phenyl]-4-formamido-2-methyl-piperidin-2-yl]ethanoic acid Openeye Name: 2-[1-[4-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]phenyl]-4-formamido-2-methyl-2-piperidyl]acetic acid CAS Name: 2-[1-[4-[[4-[4-[[cyano(methyl)amino]-oxomethyl]phenyl]-2-pyrimidinyl]amino]phenyl]-4-formamido-2-methyl-2-piperidinyl]acetic acid IUPAC Name: 2-[1-[4-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]phenyl]-4-formamido-2-methylpiperidin-2-yl]acetic acid Traditional Name: 2-[1-[4-[[4-[4-[cyano(methyl)carbamoyl]phenyl]pyrimidin-2-yl]amino]phenyl]-4-formamido-2-methyl-2-piperidyl]acetic acid Formula: C28H29N7O4 MolecularWeight: 527.57436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)N(C)C#N)NC=O)CC(=O)O

Isomeric SMILES

CC1(CC(CCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)N(C)C#N)NC=O)CC(=O)O

InChI

InChI=1S/C28H29N7O4/c1-28(16-25(37)38)15-22(31-18-36)12-14-35(28)23-9-7-21(8-10-23)32-27-30-13-11-24(33-27)19-3-5-20(6-4-19)26(39)34(2)17-29/h3-11,13,18,22H,12,14-16H2,1-2H3,(H,31,36)(H,37,38)(H,30,32,33)