4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-yl]iminomethyl]benzoic acid

Systemtic Name: 4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-yl]iminomethyl]benzoic acid Openeye Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidyl]iminomethyl]benzoic acid CAS Name: 4-[[1-(2,2-dicyclohexyl-1-oxoethyl)-4-piperidinyl]iminomethyl]benzoic acid IUPAC Name: 4-[[1-(2,2-dicyclohexylacetyl)piperidin-4-yl]iminomethyl]benzoic acid Traditional Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidyl]iminomethyl]benzoic acid Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C(=O)N3CCC(CC3)N=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)C(=O)N3CCC(CC3)N=CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H38N2O3/c30-26(25(21-7-3-1-4-8-21)22-9-5-2-6-10-22)29-17-15-24(16-18-29)28-19-20-11-13-23(14-12-20)27(31)32/h11-14,19,21-22,24-25H,1-10,15-18H2,(H,31,32)