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

Systemtic Name: methyl 2-[4-[4-(2-ethylhexanoylamino)phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-(2-ethylhexanoylamino)phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[4-[(2-ethyl-1-oxohexyl)amino]phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(2-ethylhexanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[4-(2-ethylhexanoylamino)phenyl]piperazino]-2-phenyl-acetic acid methyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-4-6-10-21(5-2)26(31)28-23-13-15-24(16-14-23)29-17-19-30(20-18-29)25(27(32)33-3)22-11-8-7-9-12-22/h7-9,11-16,21,25H,4-6,10,17-20H2,1-3H3,(H,28,31)