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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(CCN1)C(CC2=CC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/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/h4-5,7-10,13,18-19,22H,3,6,11-12,14H2,1-2H3/t18-,19-/m0/s1