4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxidanylidene-pentan-2-yl]benzoic acid; (1R)-1-naphthalen-1-ylethanamine

Systemtic Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxidanylidene-pentan-2-yl]benzoic acid; (1R)-1-naphthalen-1-ylethanamine Openeye Name: 4-[3-(4-carboxyphenyl)-1,1,3-trimethyl-2-oxo-butyl]benzoic acid; (1R)-1-(1-naphthyl)ethanamine CAS Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxopentan-2-yl]benzoic acid; (1R)-1-(1-naphthalenyl)ethanamine IUPAC Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxopentan-2-yl]benzoic acid; (1R)-1-naphthalen-1-ylethanamine Traditional Name: 4-[3-(4-carboxyphenyl)-2-keto-1,1,3-trimethyl-butyl]benzoic acid; [(1R)-1-(1-naphthyl)ethyl]amine Formula: C45H48N2O5 MolecularWeight: 696.87302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)N.CC(C1=CC=CC2=CC=CC=C21)N.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

C[C@H](C1=CC=CC2=CC=CC=C21)N.C[C@H](C1=CC=CC2=CC=CC=C21)N.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/C21H22O5.2C12H13N/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*1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h5-12H,1-4H3,(H,22,23)(H,24,25);2*2-9H,13H2,1H3/t;2*9-/m.11/s1