4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxidanylidene-pentan-2-yl]benzoic acid; piperidine

Systemtic Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxidanylidene-pentan-2-yl]benzoic acid; piperidine Openeye Name: 4-[3-(4-carboxyphenyl)-1,1,3-trimethyl-2-oxo-butyl]benzoic acid; piperidine CAS Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxopentan-2-yl]benzoic acid; piperidine IUPAC Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxopentan-2-yl]benzoic acid; piperidine Traditional Name: 4-[3-(4-carboxyphenyl)-2-keto-1,1,3-trimethyl-butyl]benzoic acid; piperidine Formula: C31H44N2O5 MolecularWeight: 524.69146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(=O)O)C(=O)C(C)(C)C2=CC=C(C=C2)C(=O)O.C1CCNCC1.C1CCNCC1

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(=O)O)C(=O)C(C)(C)C2=CC=C(C=C2)C(=O)O.C1CCNCC1.C1CCNCC1

InChI

InChI=1S/C21H22O5.2C5H11N/c1-20(2,15-9-5-13(6-10-15)17(22)23)19(26)21(3,4)16-11-7-14(8-12-16)18(24)25;2*1-2-4-6-5-3-1/h5-12H,1-4H3,(H,22,23)(H,24,25);2*6H,1-5H2