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

Systemtic Name: 4-[[1-(2,2-diphenylethanoyl)piperidin-4-yl]iminomethyl]benzoic acid Openeye Name: 4-[[1-(2,2-diphenylacetyl)-4-piperidyl]iminomethyl]benzoic acid CAS Name: 4-[[1-(1-oxo-2,2-diphenylethyl)-4-piperidinyl]iminomethyl]benzoic acid IUPAC Name: 4-[[1-(2,2-diphenylacetyl)piperidin-4-yl]iminomethyl]benzoic acid Traditional Name: 4-[[1-(2,2-diphenylacetyl)-4-piperidyl]iminomethyl]benzoic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N=CC2=CC=C(C=C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N=CC2=CC=C(C=C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/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/h1-14,19,24-25H,15-18H2,(H,31,32)