2-[4-[6-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-oxidanylidene-pyran-2-yl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[6-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-oxidanylidene-pyran-2-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[6-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-oxo-pyran-2-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[[6-[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]-4-oxo-2-pyranyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[6-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-oxopyran-2-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[4-keto-6-[2-(4-methoxyphenyl)ethylcarbamoyl]pyran-2-carbonyl]piperazino]acetic acid Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=CC(=O)C=C(O2)C(=O)N3CCN(CC3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=CC(=O)C=C(O2)C(=O)N3CCN(CC3)CC(=O)O

InChI

InChI=1S/C22H25N3O7/c1-31-17-4-2-15(3-5-17)6-7-23-21(29)18-12-16(26)13-19(32-18)22(30)25-10-8-24(9-11-25)14-20(27)28/h2-5,12-13H,6-11,14H2,1H3,(H,23,29)(H,27,28)