4-[1-(5,5-dimethyl-3-phenylmethoxy-8-propan-2-yl-6H-naphthalen-2-yl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(5,5-dimethyl-3-phenylmethoxy-8-propan-2-yl-6H-naphthalen-2-yl)ethylamino]benzoic acid Openeye Name: 4-[1-(3-benzyloxy-8-isopropyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid CAS Name: 4-[1-(5,5-dimethyl-3-phenylmethoxy-8-propan-2-yl-6H-naphthalen-2-yl)ethylamino]benzoic acid IUPAC Name: 4-[1-(5,5-dimethyl-3-phenylmethoxy-8-propan-2-yl-6H-naphthalen-2-yl)ethylamino]benzoic acid Traditional Name: 4-[1-(3-benzoxy-8-isopropyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid Formula: C31H35NO3 MolecularWeight: 469.6145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CCC(C2=CC(=C(C=C12)C(C)NC3=CC=C(C=C3)C(=O)O)OCC4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C)C1=CCC(C2=CC(=C(C=C12)C(C)NC3=CC=C(C=C3)C(=O)O)OCC4=CC=CC=C4)(C)C

InChI

InChI=1S/C31H35NO3/c1-20(2)25-15-16-31(4,5)28-18-29(35-19-22-9-7-6-8-10-22)26(17-27(25)28)21(3)32-24-13-11-23(12-14-24)30(33)34/h6-15,17-18,20-21,32H,16,19H2,1-5H3,(H,33,34)