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

Systemtic Name: 4-[[7-[4-(dimethylamino)-4-oxidanylidene-butyl]naphthalen-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[7-[4-(dimethylamino)-4-oxo-butyl]-1-naphthyl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[7-[4-(dimethylamino)-4-oxobutyl]-1-naphthalenyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[7-[4-(dimethylamino)-4-oxobutyl]naphthalen-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[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=C(C=C3)C(=O)O)OC)C=C1

Isomeric SMILES

CN(C)C(=O)CCCC1=CC2=C(C=CC=C2CC3=C(C=C(C=C3)C(=O)O)OC)C=C1

InChI

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