N-[3-[(3-cyanophenyl)methyl]-4-oxidanyl-butan-2-yl]-4-(3-ethylphenyl)benzamide

Systemtic Name: N-[3-[(3-cyanophenyl)methyl]-4-oxidanyl-butan-2-yl]-4-(3-ethylphenyl)benzamide Openeye Name: N-[2-[(3-cyanophenyl)methyl]-3-hydroxy-1-methyl-propyl]-4-(3-ethylphenyl)benzamide CAS Name: N-[3-[(3-cyanophenyl)methyl]-4-hydroxybutan-2-yl]-4-(3-ethylphenyl)benzamide IUPAC Name: N-[3-[(3-cyanophenyl)methyl]-4-hydroxybutan-2-yl]-4-(3-ethylphenyl)benzamide Traditional Name: N-[2-(3-cyanobenzyl)-3-hydroxy-1-methyl-propyl]-4-(3-ethylphenyl)benzamide Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(C)C(CC3=CC=CC(=C3)C#N)CO

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(C)C(CC3=CC=CC(=C3)C#N)CO

InChI

InChI=1S/C27H28N2O2/c1-3-20-6-5-9-25(15-20)23-10-12-24(13-11-23)27(31)29-19(2)26(18-30)16-21-7-4-8-22(14-21)17-28/h4-15,19,26,30H,3,16,18H2,1-2H3,(H,29,31)