2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-4-oxidanylidene-6-phenyl-heptanoic acid

Systemtic Name: 2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-4-oxidanylidene-6-phenyl-heptanoic acid Openeye Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-4-oxo-6-phenyl-heptanoic acid CAS Name: 2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-4-oxo-6-phenylheptanoic acid IUPAC Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-4-oxo-6-phenylheptanoic acid Traditional Name: 2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-4-keto-6-phenyl-enanthic acid Formula: C28H27ClN2O6 MolecularWeight: 522.97678

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C28H27ClN2O6/c1-17(19-7-3-2-4-8-19)12-22(33)15-25(28(36)37)31-27(35)23-11-10-20(14-24(23)29)26(34)30-16-18-6-5-9-21(32)13-18/h2-11,13-14,17,25,32H,12,15-16H2,1H3,(H,30,34)(H,31,35)(H,36,37)