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

Systemtic Name: 2-[[2-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxidanylidene-propanoyl]naphthalen-1-yl]amino]ethanoic acid Openeye Name: 2-[[2-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxo-propanoyl]-1-naphthyl]amino]acetic acid CAS Name: 2-[[2-[3-(4-ethoxycarbonyl-1-piperazinyl)-1,3-dioxopropyl]-1-naphthalenyl]amino]acetic acid IUPAC Name: 2-[[2-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropanoyl]naphthalen-1-yl]amino]acetic acid Traditional Name: 2-[[2-[3-(4-carbethoxypiperazino)-3-keto-propanoyl]-1-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)C2=C(C3=CC=CC=C3C=C2)NCC(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(=O)C2=C(C3=CC=CC=C3C=C2)NCC(=O)O

InChI

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