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

Systemtic Name: 2-[[7-[4-(dimethylamino)-4-oxidanylidene-butyl]naphthalen-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[7-[4-(dimethylamino)-4-oxo-butyl]-1-naphthyl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[7-[4-(dimethylamino)-4-oxobutyl]-1-naphthalenyl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[7-[4-(dimethylamino)-4-oxobutyl]naphthalen-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[7-[4-(dimethylamino)-4-keto-butyl]-1-naphthyl]methyl]-3-methoxy-benzoic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCCC1=CC2=C(C=CC=C2CC3=C(C=CC=C3OC)C(=O)O)C=C1

Isomeric SMILES

CN(C)C(=O)CCCC1=CC2=C(C=CC=C2CC3=C(C=CC=C3OC)C(=O)O)C=C1

InChI

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