methyl (Z)-2-acetamido-3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]prop-2-enoate

Systemtic Name: methyl (Z)-2-acetamido-3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]prop-2-enoate Openeye Name: methyl (Z)-2-acetamido-3-[4-cyano-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]prop-2-enoate CAS Name: (Z)-2-acetamido-3-[4-cyano-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-acetamido-3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]prop-2-enoate Traditional Name: (Z)-2-acetamido-3-[4-cyano-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]acrylic acid methyl ester Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=C(C=C(C=C1)C#N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N/C(=C\C1=C(C=C(C=C1)C#N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3)/C(=O)OC

InChI

InChI=1S/C26H29N5O5/c1-18(32)30-23(26(34)35-2)16-21-4-3-19(17-27)15-24(21)36-14-11-29-25(33)20-7-12-31(13-8-20)22-5-9-28-10-6-22/h3-6,9-10,15-16,20H,7-8,11-14H2,1-2H3,(H,29,33)(H,30,32)/b23-16-