methyl 2-[(3-cyanophenyl)methyl]-3-methyl-5-phenyl-pentanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-5-phenyl-pentanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-5-phenyl-pentanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-methyl-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-methyl-5-phenylpentanoate Traditional Name: 2-(3-cyanobenzyl)-3-methyl-5-phenyl-valeric acid methyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)C(CC2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)C(CC2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C21H23NO2/c1-16(11-12-17-7-4-3-5-8-17)20(21(23)24-2)14-18-9-6-10-19(13-18)15-22/h3-10,13,16,20H,11-12,14H2,1-2H3