3-methoxy-4-[[7-(2-methylbutylcarbamoyl)naphthalen-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[7-(2-methylbutylcarbamoyl)naphthalen-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[7-(2-methylbutylcarbamoyl)-1-naphthyl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[7-[(2-methylbutylamino)-oxomethyl]-1-naphthalenyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[7-(2-methylbutylcarbamoyl)naphthalen-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[7-(2-methylbutylcarbamoyl)-1-naphthyl]methyl]benzoic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1=CC2=C(C=CC=C2CC3=C(C=C(C=C3)C(=O)O)OC)C=C1

Isomeric SMILES

CCC(C)CNC(=O)C1=CC2=C(C=CC=C2CC3=C(C=C(C=C3)C(=O)O)OC)C=C1

InChI

InChI=1S/C25H27NO4/c1-4-16(2)15-26-24(27)20-10-8-17-6-5-7-18(22(17)13-20)12-19-9-11-21(25(28)29)14-23(19)30-3/h5-11,13-14,16H,4,12,15H2,1-3H3,(H,26,27)(H,28,29)