2-[3-[2-(4-methoxyphenyl)ethylamino]-2-methyl-2-oxidanyl-butoxy]-5-pyrrolidin-1-ylcarbonyl-benzenecarbonitrile

Systemtic Name: 2-[3-[2-(4-methoxyphenyl)ethylamino]-2-methyl-2-oxidanyl-butoxy]-5-pyrrolidin-1-ylcarbonyl-benzenecarbonitrile Openeye Name: 2-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]-2-methyl-butoxy]-5-(pyrrolidine-1-carbonyl)benzonitrile CAS Name: 2-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]-2-methylbutoxy]-5-[oxo(1-pyrrolidinyl)methyl]benzonitrile IUPAC Name: 2-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]-2-methylbutoxy]-5-(pyrrolidine-1-carbonyl)benzonitrile Traditional Name: 2-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]-2-methyl-butoxy]-5-(pyrrolidine-1-carbonyl)benzonitrile Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(COC1=C(C=C(C=C1)C(=O)N2CCCC2)C#N)O)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(C)(COC1=C(C=C(C=C1)C(=O)N2CCCC2)C#N)O)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H33N3O4/c1-19(28-13-12-20-6-9-23(32-3)10-7-20)26(2,31)18-33-24-11-8-21(16-22(24)17-27)25(30)29-14-4-5-15-29/h6-11,16,19,28,31H,4-5,12-15,18H2,1-3H3