4-[(4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl)carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 4-[(4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl)carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 4-[(1-benzyl-3-chloro-2-oxo-propyl)carbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 4-[[(4-chloro-3-oxo-1-phenylbutan-2-yl)amino]-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 4-[(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 4-[(1-benzyl-3-chloro-2-keto-propyl)carbamoyl]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C31H22ClNO7 MolecularWeight: 555.96188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CCl)NC(=O)C2=CC(=C(C=C2)C(=O)O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)CCl)NC(=O)C2=CC(=C(C=C2)C(=O)O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O

InChI

InChI=1S/C31H22ClNO7/c32-16-26(36)25(12-17-4-2-1-3-5-17)33-30(37)18-6-9-21(31(38)39)24(13-18)29-22-10-7-19(34)14-27(22)40-28-15-20(35)8-11-23(28)29/h1-11,13-15,25,34H,12,16H2,(H,33,37)(H,38,39)