5-(4-acetamido-4-hex-4-ynoyl-piperidin-1-yl)carbonyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-(4-acetamido-4-hex-4-ynoyl-piperidin-1-yl)carbonyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-(4-acetamido-4-hex-4-ynoyl-piperidine-1-carbonyl)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-[[4-acetamido-4-(1-oxohex-4-ynyl)-1-piperidinyl]-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-(4-acetamido-4-hex-4-ynoylpiperidine-1-carbonyl)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-(4-acetamido-4-hex-4-ynoyl-piperidine-1-carbonyl)-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C34H30N2O8 MolecularWeight: 594.6106

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCC(=O)C1(CCN(CC1)C(=O)C2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O)NC(=O)C

Isomeric SMILES

CC#CCCC(=O)C1(CCN(CC1)C(=O)C2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O)NC(=O)C

InChI

InChI=1S/C34H30N2O8/c1-3-4-5-6-30(40)34(35-20(2)37)13-15-36(16-14-34)32(41)21-7-10-24(27(17-21)33(42)43)31-25-11-8-22(38)18-28(25)44-29-19-23(39)9-12-26(29)31/h7-12,17-19,38H,5-6,13-16H2,1-2H3,(H,35,37)(H,42,43)