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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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