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

Systemtic Name: 4-[1-(3-ethoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)ethylamino]benzoic acid Openeye Name: 4-[1-(3-ethoxy-8-isopropyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid CAS Name: 4-[1-(3-ethoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)ethylamino]benzoic acid IUPAC Name: 4-[1-(3-ethoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)ethylamino]benzoic acid Traditional Name: 4-[1-(3-ethoxy-8-isopropyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)C)C(C)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)C)C(C)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H33NO3/c1-7-30-24-15-23-22(20(16(2)3)12-13-26(23,5)6)14-21(24)17(4)27-19-10-8-18(9-11-19)25(28)29/h8-12,14-17,27H,7,13H2,1-6H3,(H,28,29)