methyl 2-[4-[4-(3-methylbutanoylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-[4-(3-methylbutanoylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-(3-methylbutanoylamino)phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-methylbutanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[4-(isovalerylamino)phenyl]piperazino]-2-phenyl-acetic acid methyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H31N3O3/c1-18(2)17-22(28)25-20-9-11-21(12-10-20)26-13-15-27(16-14-26)23(24(29)30-3)19-7-5-4-6-8-19/h4-12,18,23H,13-17H2,1-3H3,(H,25,28)