3-[(7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl)carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 3-[(7-azanyl-1-chloranyl-2-oxidanylidene-heptan-3-yl)carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 3-[[5-amino-1-(2-chloroacetyl)pentyl]carbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 3-[[(7-amino-1-chloro-2-oxoheptan-3-yl)amino]-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 3-[(7-amino-1-chloro-2-oxoheptan-3-yl)carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 3-[[5-amino-1-(2-chloroacetyl)pentyl]carbamoyl]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C28H25ClN2O7 MolecularWeight: 536.9603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)NC(CCCCN)C(=O)CCl

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)NC(CCCCN)C(=O)CCl

InChI

InChI=1S/C28H25ClN2O7/c29-14-22(34)21(6-1-2-11-30)31-27(35)19-4-3-5-20(28(36)37)26(19)25-17-9-7-15(32)12-23(17)38-24-13-16(33)8-10-18(24)25/h3-5,7-10,12-13,21,32H,1-2,6,11,14,30H2,(H,31,35)(H,36,37)