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

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methyl-butanoate hydrochloride Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methyl-butanoate hydrochloride CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate hydrochloride Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]amino]-3-methyl-butyric acid methyl ester hydrochloride Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.Cl

Isomeric SMILES

CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N.Cl

InChI

InChI=1S/C20H22N2O2.ClH/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21;/h4-11,14,19,22H,13H2,1-3H3;1H