methyl 4-[3-(naphthalen-2-ylmethylamino)-1-[3-(phenoxymethyl)phenyl]butan-2-yl]benzoate

Systemtic Name: methyl 4-[3-(naphthalen-2-ylmethylamino)-1-[3-(phenoxymethyl)phenyl]butan-2-yl]benzoate Openeye Name: methyl 4-[2-(2-naphthylmethylamino)-1-[[3-(phenoxymethyl)phenyl]methyl]propyl]benzoate CAS Name: 4-[3-(2-naphthalenylmethylamino)-1-[3-(phenoxymethyl)phenyl]butan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(naphthalen-2-ylmethylamino)-1-[3-(phenoxymethyl)phenyl]butan-2-yl]benzoate Traditional Name: 4-[2-(2-naphthylmethylamino)-1-[3-(phenoxymethyl)benzyl]propyl]benzoic acid methyl ester Formula: C36H35NO3 MolecularWeight: 529.668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC(=CC=C1)COC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)NCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C(CC1=CC(=CC=C1)COC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)NCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C36H35NO3/c1-26(37-24-28-15-16-30-11-6-7-12-33(30)22-28)35(31-17-19-32(20-18-31)36(38)39-2)23-27-9-8-10-29(21-27)25-40-34-13-4-3-5-14-34/h3-22,26,35,37H,23-25H2,1-2H3