2-[4-chloranyl-3-[[1-(hydroxymethyl)cycloheptyl]methylcarbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[4-chloranyl-3-[[1-(hydroxymethyl)cycloheptyl]methylcarbamoyl]phenyl]benzoic acid Openeye Name: 2-[4-chloro-3-[[1-(hydroxymethyl)cycloheptyl]methylcarbamoyl]phenyl]benzoic acid CAS Name: 2-[4-chloro-3-[[[1-(hydroxymethyl)cycloheptyl]methylamino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[4-chloro-3-[[1-(hydroxymethyl)cycloheptyl]methylcarbamoyl]phenyl]benzoic acid Traditional Name: 2-[4-chloro-3-[(1-methylolcycloheptyl)methylcarbamoyl]phenyl]benzoic acid Formula: C23H26ClNO4 MolecularWeight: 415.90984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)Cl)CO

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)Cl)CO

InChI

InChI=1S/C23H26ClNO4/c24-20-10-9-16(17-7-3-4-8-18(17)22(28)29)13-19(20)21(27)25-14-23(15-26)11-5-1-2-6-12-23/h3-4,7-10,13,26H,1-2,5-6,11-12,14-15H2,(H,25,27)(H,28,29)