4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxidanylidene-pentan-2-yl]benzoic acid; N-propan-2-ylpropan-2-amine

Systemtic Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxidanylidene-pentan-2-yl]benzoic acid; N-propan-2-ylpropan-2-amine Openeye Name: 4-[3-(4-carboxyphenyl)-1,1,3-trimethyl-2-oxo-butyl]benzoic acid; N-isopropylpropan-2-amine CAS Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxopentan-2-yl]benzoic acid; N-propan-2-yl-2-propanamine IUPAC Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxopentan-2-yl]benzoic acid; N-propan-2-ylpropan-2-amine Traditional Name: 4-[3-(4-carboxyphenyl)-2-keto-1,1,3-trimethyl-butyl]benzoic acid; diisopropylamine Formula: C33H52N2O5 MolecularWeight: 556.77638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5.2C6H15N/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*1-5(2)7-6(3)4/h5-12H,1-4H3,(H,22,23)(H,24,25);2*5-7H,1-4H3