5-[[6-(but-2-ynylamino)-6-oxidanylidene-hexyl]carbamoyl]-2-(3-methyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[[6-(but-2-ynylamino)-6-oxidanylidene-hexyl]carbamoyl]-2-(3-methyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-[[6-(but-2-ynylamino)-6-oxo-hexyl]carbamoyl]-2-(3-methyl-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-[[[6-(but-2-ynylamino)-6-oxohexyl]amino]-oxomethyl]-2-(3-methyl-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-[[6-(but-2-ynylamino)-6-oxohexyl]carbamoyl]-2-(3-methyl-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-[[6-(but-2-ynylamino)-6-keto-hexyl]carbamoyl]-2-(3-keto-6-methyl-xanthen-9-yl)benzoic acid Formula: C32H30N2O6 MolecularWeight: 538.5904

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)C)C(=O)O

Isomeric SMILES

CC#CCNC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)C)C(=O)O

InChI

InChI=1S/C32H30N2O6/c1-3-4-15-33-29(36)8-6-5-7-16-34-31(37)21-10-13-23(26(18-21)32(38)39)30-24-12-9-20(2)17-27(24)40-28-19-22(35)11-14-25(28)30/h9-14,17-19H,5-8,15-16H2,1-2H3,(H,33,36)(H,34,37)(H,38,39)