methyl 3-[2-(1,2-dihydroacenaphthylen-5-ylamino)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1,2-dihydroacenaphthylen-5-ylamino)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1,2-dihydroacenaphthylen-5-ylamino)acetyl]amino]benzoate CAS Name: 3-[[2-(1,2-dihydroacenaphthylen-5-ylamino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,2-dihydroacenaphthylen-5-ylamino)acetyl]amino]benzoate Traditional Name: 3-[[2-(acenaphthen-5-ylamino)acetyl]amino]benzoic acid methyl ester Formula: C22H20N2O3 MolecularWeight: 360.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CNC2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CNC2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H20N2O3/c1-27-22(26)16-5-2-6-17(12-16)24-20(25)13-23-19-11-10-15-9-8-14-4-3-7-18(19)21(14)15/h2-7,10-12,23H,8-9,13H2,1H3,(H,24,25)