[2-(5-cyanopent-1-ynyl)-6-methoxy-4-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]phenyl] ethanoate

Systemtic Name: [2-(5-cyanopent-1-ynyl)-6-methoxy-4-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]phenyl] ethanoate Openeye Name: [2-(5-cyanopent-1-ynyl)-4-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-oxo-propyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-(5-cyanopent-1-ynyl)-4-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-6-methoxyphenyl] ester IUPAC Name: [2-(5-cyanopent-1-ynyl)-4-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-(5-cyanopent-1-ynyl)-4-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-keto-propyl]-6-methoxy-phenyl] ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NC(=O)CCC1=CC(=C(C(=C1)C#CCCCC#N)OC(=O)C)OC

Isomeric SMILES

CC(CCCC(C)(C)O)NC(=O)CCC1=CC(=C(C(=C1)C#CCCCC#N)OC(=O)C)OC

InChI

InChI=1S/C26H36N2O5/c1-19(11-10-15-26(3,4)31)28-24(30)14-13-21-17-22(12-8-6-7-9-16-27)25(33-20(2)29)23(18-21)32-5/h17-19,31H,6-7,9-11,13-15H2,1-5H3,(H,28,30)