ethyl (2S,3S)-3-(butylamino)-3-phenyl-2-(4-phenylpiperazin-1-yl)propanoate

Systemtic Name: ethyl (2S,3S)-3-(butylamino)-3-phenyl-2-(4-phenylpiperazin-1-yl)propanoate Openeye Name: ethyl (2S,3S)-3-(butylamino)-3-phenyl-2-(4-phenylpiperazin-1-yl)propanoate CAS Name: (2S,3S)-3-(butylamino)-3-phenyl-2-(4-phenyl-1-piperazinyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(butylamino)-3-phenyl-2-(4-phenylpiperazin-1-yl)propanoate Traditional Name: (2S,3S)-3-(butylamino)-3-phenyl-2-(4-phenylpiperazino)propionic acid ethyl ester Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=CC=CC=C1)C(C(=O)OCC)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCN[C@@H](C1=CC=CC=C1)[C@@H](C(=O)OCC)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O2/c1-3-5-16-26-23(21-12-8-6-9-13-21)24(25(29)30-4-2)28-19-17-27(18-20-28)22-14-10-7-11-15-22/h6-15,23-24,26H,3-5,16-20H2,1-2H3/t23-,24-/m0/s1