ethyl 2-[[(2S)-2-[(3S)-3-methylpiperazin-1-yl]-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2S)-2-[(3S)-3-methylpiperazin-1-yl]-3-phenyl-propanoyl]amino]ethanoate Openeye Name: ethyl 2-[[(2S)-2-[(3S)-3-methylpiperazin-1-yl]-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[(3S)-3-methyl-1-piperazinyl]-1-oxo-3-phenylpropyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-[(3S)-3-methylpiperazin-1-yl]-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[(3S)-3-methylpiperazino]-3-phenyl-propanoyl]amino]acetic acid ethyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)N2CCNC(C2)C

Isomeric SMILES

CCOC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)N2CCN[C@H](C2)C

InChI

InChI=1S/C18H27N3O3/c1-3-24-17(22)12-20-18(23)16(11-15-7-5-4-6-8-15)21-10-9-19-14(2)13-21/h4-8,14,16,19H,3,9-13H2,1-2H3,(H,20,23)/t14-,16-/m0/s1