4-[(3-butoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid

Systemtic Name: 4-[(3-butoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid Openeye Name: 4-[(3-butoxy-8-isopropyl-5,5-dimethyl-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid CAS Name: 4-[(3-butoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-ethylamino]benzoic acid IUPAC Name: 4-[(3-butoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-ethylamino]benzoic acid Traditional Name: 4-[(3-butoxy-8-isopropyl-5,5-dimethyl-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)C)N(CC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)C)N(CC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C28H37NO3/c1-7-9-16-32-26-18-24-23(22(19(3)4)14-15-28(24,5)6)17-25(26)29(8-2)21-12-10-20(11-13-21)27(30)31/h10-14,17-19H,7-9,15-16H2,1-6H3,(H,30,31)