4-[6-[carboxymethyl-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxidanylidene-propanoyl]amino]naphthalen-1-yl]oxybutanoic acid

Systemtic Name: 4-[6-[carboxymethyl-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxidanylidene-propanoyl]amino]naphthalen-1-yl]oxybutanoic acid Openeye Name: 4-[[6-[carboxymethyl-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxo-propanoyl]amino]-1-naphthyl]oxy]butanoic acid CAS Name: 4-[[6-[carboxymethyl-[3-(4-ethoxycarbonyl-1-piperazinyl)-1,3-dioxopropyl]amino]-1-naphthalenyl]oxy]butanoic acid IUPAC Name: 4-[6-[carboxymethyl-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropanoyl]amino]naphthalen-1-yl]oxybutanoic acid Traditional Name: 4-[6-[[3-(4-carbethoxypiperazino)-3-keto-propanoyl]-(carboxymethyl)amino]-1-naphthoxy]butyric acid Formula: C26H31N3O9 MolecularWeight: 529.53904

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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)OCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O9/c1-2-37-26(36)28-12-10-27(11-13-28)22(30)16-23(31)29(17-25(34)35)19-8-9-20-18(15-19)5-3-6-21(20)38-14-4-7-24(32)33/h3,5-6,8-9,15H,2,4,7,10-14,16-17H2,1H3,(H,32,33)(H,34,35)