2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxidanylidene-propanoyl]-(5-oxidanylnaphthalen-2-yl)amino]ethanoic acid

Systemtic Name: 2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxidanylidene-propanoyl]-(5-oxidanylnaphthalen-2-yl)amino]ethanoic acid Openeye Name: 2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxo-propanoyl]-(5-hydroxy-2-naphthyl)amino]acetic acid CAS Name: 2-[[3-(4-ethoxycarbonyl-1-piperazinyl)-1,3-dioxopropyl]-(5-hydroxy-2-naphthalenyl)amino]acetic acid IUPAC Name: 2-[[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropanoyl]-(5-hydroxynaphthalen-2-yl)amino]acetic acid Traditional Name: 2-[[3-(4-carbethoxypiperazino)-3-keto-propanoyl]-(5-hydroxy-2-naphthyl)amino]acetic acid Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC(=O)N(CC(=O)O)C2=CC3=C(C=C2)C(=CC=C3)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC(=O)N(CC(=O)O)C2=CC3=C(C=C2)C(=CC=C3)O

InChI

InChI=1S/C22H25N3O7/c1-2-32-22(31)24-10-8-23(9-11-24)19(27)13-20(28)25(14-21(29)30)16-6-7-17-15(12-16)4-3-5-18(17)26/h3-7,12,26H,2,8-11,13-14H2,1H3,(H,29,30)