2-[4-chloranyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[4-chloranyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]phenyl]benzoic acid Openeye Name: 2-[4-chloro-3-[[(1R)-1-cyclohexylethyl]carbamoyl]phenyl]benzoic acid CAS Name: 2-[4-chloro-3-[[[(1R)-1-cyclohexylethyl]amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[4-chloro-3-[[(1R)-1-cyclohexylethyl]carbamoyl]phenyl]benzoic acid Traditional Name: 2-[4-chloro-3-[[(1R)-1-cyclohexylethyl]carbamoyl]phenyl]benzoic acid Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

C[C@H](C1CCCCC1)NC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C22H24ClNO3/c1-14(15-7-3-2-4-8-15)24-21(25)19-13-16(11-12-20(19)23)17-9-5-6-10-18(17)22(26)27/h5-6,9-15H,2-4,7-8H2,1H3,(H,24,25)(H,26,27)/t14-/m1/s1