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

Systemtic Name: methyl (2S)-3-naphthalen-2-yl-2-[(3S)-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]propanoate Openeye Name: methyl (2S)-2-[(3S)-3-allyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoate CAS Name: (2S)-3-(2-naphthalenyl)-2-[(3S)-2-oxo-3-prop-2-enyl-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-naphthalen-2-yl-2-[(3S)-2-oxo-3-prop-2-enylpiperazin-1-yl]propanoate Traditional Name: (2S)-2-[(3S)-3-allyl-2-keto-piperazino]-3-(2-naphthyl)propionic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=CC=CC=C2C=C1)N3CCNC(C3=O)CC=C

Isomeric SMILES

COC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N3CCN[C@H](C3=O)CC=C

InChI

InChI=1S/C21H24N2O3/c1-3-6-18-20(24)23(12-11-22-18)19(21(25)26-2)14-15-9-10-16-7-4-5-8-17(16)13-15/h3-5,7-10,13,18-19,22H,1,6,11-12,14H2,2H3/t18-,19-/m0/s1