methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-decanoyl-amino]propanoate

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-decanoyl-amino]propanoate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-decanoyl-amino]propanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxodecyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-decanoylamino]propanoate Traditional Name: 2-[capryl-[4-(2-cyanophenyl)benzyl]amino]propionic acid methyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(C)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(C)C(=O)OC

InChI

InChI=1S/C28H36N2O3/c1-4-5-6-7-8-9-10-15-27(31)30(22(2)28(32)33-3)21-23-16-18-24(19-17-23)26-14-12-11-13-25(26)20-29/h11-14,16-19,22H,4-10,15,21H2,1-3H3