ethyl 2-oxidanylidene-2-[[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-yl-ethyl]amino]ethanoate

Systemtic Name: ethyl 2-oxidanylidene-2-[[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-yl-ethyl]amino]ethanoate Openeye Name: ethyl 2-oxo-2-[[(2S)-2-(4-phenylpiperazin-1-yl)-2-(3-pyridyl)ethyl]amino]acetate CAS Name: 2-oxo-2-[[(2S)-2-(4-phenyl-1-piperazinyl)-2-(3-pyridinyl)ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-oxo-2-[[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]amino]acetate Traditional Name: 2-keto-2-[[(2S)-2-(4-phenylpiperazino)-2-(3-pyridyl)ethyl]amino]acetic acid ethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=O)NC[C@H](C1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-2-28-21(27)20(26)23-16-19(17-7-6-10-22-15-17)25-13-11-24(12-14-25)18-8-4-3-5-9-18/h3-10,15,19H,2,11-14,16H2,1H3,(H,23,26)/t19-/m1/s1