methyl 3-[3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]benzoate CAS Name: 3-[[3-[1,2-dihydroacenaphthylen-5-yl(oxo)methyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]benzoate Traditional Name: 3-[3-(acenaphthene-5-carbonyl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C27H25NO4 MolecularWeight: 427.4917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C27H25NO4/c1-32-27(31)20-7-2-6-19(15-20)26(30)28-14-4-8-21(16-28)25(29)23-13-12-18-11-10-17-5-3-9-22(23)24(17)18/h2-3,5-7,9,12-13,15,21H,4,8,10-11,14,16H2,1H3