4-[1-azanyl-3-(5-chloranyl-2-cyclohexyl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid; methanamine

Systemtic Name: 4-[1-azanyl-3-(5-chloranyl-2-cyclohexyl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid; methanamine Openeye Name: 4-[1-carbamoyl-2-(5-chloro-2-cyclohexyl-phenyl)propyl]benzoic acid; methanamine CAS Name: 4-[1-amino-3-(5-chloro-2-cyclohexylphenyl)-1-oxobutan-2-yl]benzoic acid; methanamine IUPAC Name: 4-[1-amino-3-(5-chloro-2-cyclohexylphenyl)-1-oxobutan-2-yl]benzoic acid; methanamine Traditional Name: 4-[1-carbamoyl-2-(5-chloro-2-cyclohexyl-phenyl)propyl]benzoic acid; methylamine Formula: C24H31ClN2O3 MolecularWeight: 430.96754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)C2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N.CN

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)C2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N.CN

InChI

InChI=1S/C23H26ClNO3.CH5N/c1-14(21(22(25)26)16-7-9-17(10-8-16)23(27)28)20-13-18(24)11-12-19(20)15-5-3-2-4-6-15;1-2/h7-15,21H,2-6H2,1H3,(H2,25,26)(H,27,28);2H2,1H3