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

Systemtic Name: methyl 4-[[7-[5-(dimethylamino)-5-oxidanylidene-pentyl]naphthalen-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[7-[5-(dimethylamino)-5-oxo-pentyl]-1-naphthyl]methyl]-3-methoxy-benzoate CAS Name: 4-[[7-[5-(dimethylamino)-5-oxopentyl]-1-naphthalenyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[7-[5-(dimethylamino)-5-oxopentyl]naphthalen-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[7-[5-(dimethylamino)-5-keto-pentyl]-1-naphthyl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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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)OC)OC)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4/c1-28(2)26(29)11-6-5-8-19-12-13-20-9-7-10-21(24(20)16-19)17-22-14-15-23(27(30)32-4)18-25(22)31-3/h7,9-10,12-16,18H,5-6,8,11,17H2,1-4H3