methyl 4-[1,1-diethoxy-4-(naphthalen-2-ylmethylamino)pentan-3-yl]benzoate

Systemtic Name: methyl 4-[1,1-diethoxy-4-(naphthalen-2-ylmethylamino)pentan-3-yl]benzoate Openeye Name: methyl 4-[3,3-diethoxy-1-[1-(2-naphthylmethylamino)ethyl]propyl]benzoate CAS Name: 4-[1,1-diethoxy-4-(2-naphthalenylmethylamino)pentan-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,1-diethoxy-4-(naphthalen-2-ylmethylamino)pentan-3-yl]benzoate Traditional Name: 4-[3,3-diethoxy-1-[1-(2-naphthylmethylamino)ethyl]propyl]benzoic acid methyl ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C1=CC=C(C=C1)C(=O)OC)C(C)NCC2=CC3=CC=CC=C3C=C2)OCC

Isomeric SMILES

CCOC(CC(C1=CC=C(C=C1)C(=O)OC)C(C)NCC2=CC3=CC=CC=C3C=C2)OCC

InChI

InChI=1S/C28H35NO4/c1-5-32-27(33-6-2)18-26(23-13-15-24(16-14-23)28(30)31-4)20(3)29-19-21-11-12-22-9-7-8-10-25(22)17-21/h7-17,20,26-27,29H,5-6,18-19H2,1-4H3