methyl (2S)-3-naphthalen-2-yl-2-[(3S)-2-oxidanylidene-3-propan-2-yl-piperazin-1-yl]propanoate

Systemtic Name: methyl (2S)-3-naphthalen-2-yl-2-[(3S)-2-oxidanylidene-3-propan-2-yl-piperazin-1-yl]propanoate Openeye Name: methyl (2S)-2-[(3S)-3-isopropyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoate CAS Name: (2S)-3-(2-naphthalenyl)-2-[(3S)-2-oxo-3-propan-2-yl-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-naphthalen-2-yl-2-[(3S)-2-oxo-3-propan-2-ylpiperazin-1-yl]propanoate Traditional Name: (2S)-2-[(3S)-3-isopropyl-2-keto-piperazino]-3-(2-naphthyl)propionic acid methyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(CCN1)C(CC2=CC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

CC(C)[C@H]1C(=O)N(CCN1)[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O3/c1-14(2)19-20(24)23(11-10-22-19)18(21(25)26-3)13-15-8-9-16-6-4-5-7-17(16)12-15/h4-9,12,14,18-19,22H,10-11,13H2,1-3H3/t18-,19-/m0/s1