2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxidanylidene-propanoyl]-naphthalen-2-yl-amino]ethanoic acid

Systemtic Name: 2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxidanylidene-propanoyl]-naphthalen-2-yl-amino]ethanoic acid Openeye Name: 2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxo-propanoyl]-(2-naphthyl)amino]acetic acid CAS Name: 2-[[3-(4-ethoxycarbonyl-1-piperazinyl)-1,3-dioxopropyl]-(2-naphthalenyl)amino]acetic acid IUPAC Name: 2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropanoyl]-naphthalen-2-ylamino]acetic acid Traditional Name: 2-[[3-(4-carbethoxypiperazino)-3-keto-propanoyl]-(2-naphthyl)amino]acetic acid Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(=O)N(CC(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(=O)N(CC(=O)O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H25N3O6/c1-2-31-22(30)24-11-9-23(10-12-24)19(26)14-20(27)25(15-21(28)29)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,28,29)