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

Systemtic Name: methyl 2-[4-[4-(butanoylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-(butanoylamino)phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[4-(1-oxobutylamino)phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(butanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-(4-butyramidophenyl)piperazino]-2-phenyl-acetic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-3-7-21(27)24-19-10-12-20(13-11-19)25-14-16-26(17-15-25)22(23(28)29-2)18-8-5-4-6-9-18/h4-6,8-13,22H,3,7,14-17H2,1-2H3,(H,24,27)