methyl 2-[(3-cyanophenyl)methyl]-3-methyl-4-phenyl-butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-4-phenyl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-4-phenyl-butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-methyl-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-4-phenylbutanoate Traditional Name: 2-(3-cyanobenzyl)-3-methyl-4-phenyl-butyric acid methyl ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CC2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CC(CC1=CC=CC=C1)C(CC2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C20H21NO2/c1-15(11-16-7-4-3-5-8-16)19(20(22)23-2)13-17-9-6-10-18(12-17)14-21/h3-10,12,15,19H,11,13H2,1-2H3