4-[[7-[5-(dimethylamino)-5-oxidanylidene-pentyl]naphthalen-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[7-[5-(dimethylamino)-5-oxidanylidene-pentyl]naphthalen-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[7-[5-(dimethylamino)-5-oxo-pentyl]-1-naphthyl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[7-[5-(dimethylamino)-5-oxopentyl]-1-naphthalenyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[7-[5-(dimethylamino)-5-oxopentyl]naphthalen-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[7-[5-(dimethylamino)-5-keto-pentyl]-1-naphthyl]methyl]-3-methoxy-benzoic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCCCC1=CC2=C(C=CC=C2CC3=C(C=C(C=C3)C(=O)O)OC)C=C1

Isomeric SMILES

CN(C)C(=O)CCCCC1=CC2=C(C=CC=C2CC3=C(C=C(C=C3)C(=O)O)OC)C=C1

InChI

InChI=1S/C26H29NO4/c1-27(2)25(28)10-5-4-7-18-11-12-19-8-6-9-20(23(19)15-18)16-21-13-14-22(26(29)30)17-24(21)31-3/h6,8-9,11-15,17H,4-5,7,10,16H2,1-3H3,(H,29,30)