methyl (2S)-2-[(4-methanoylpiperazin-1-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-methanoylpiperazin-1-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-formylpiperazine-1-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4-formyl-1-piperazinyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-formylpiperazine-1-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-formylpiperazine-1-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C=O

InChI

InChI=1S/C16H21N3O4/c1-23-15(21)14(11-13-5-3-2-4-6-13)17-16(22)19-9-7-18(12-20)8-10-19/h2-6,12,14H,7-11H2,1H3,(H,17,22)/t14-/m0/s1