ethyl 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate

Systemtic Name: ethyl 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propanoate CAS Name: 3-[3-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-5-(3-pyridinylmethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate Traditional Name: 3-[3-[2-(isovalerylamino)ethyl]-5-(3-pyridylmethyl)phenyl]propionic acid ethyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCNC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CC2=CN=CC=C2)CCNC(=O)CC(C)C

InChI

InChI=1S/C24H32N2O3/c1-4-29-24(28)8-7-19-13-20(9-11-26-23(27)12-18(2)3)15-22(14-19)16-21-6-5-10-25-17-21/h5-6,10,13-15,17-18H,4,7-9,11-12,16H2,1-3H3,(H,26,27)