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

Systemtic Name: methyl 2-[4-[4-(2-ethylbutanoylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-(2-ethylbutanoylamino)phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[4-[(2-ethyl-1-oxobutyl)amino]phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(2-ethylbutanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[4-(2-ethylbutanoylamino)phenyl]piperazino]-2-phenyl-acetic acid methyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-4-19(5-2)24(29)26-21-11-13-22(14-12-21)27-15-17-28(18-16-27)23(25(30)31-3)20-9-7-6-8-10-20/h6-14,19,23H,4-5,15-18H2,1-3H3,(H,26,29)