[4-oxidanyl-3-(phenylcarbonyl)-2-piperidin-1-yl-phenanthren-1-yl] ethanoate

Systemtic Name: [4-oxidanyl-3-(phenylcarbonyl)-2-piperidin-1-yl-phenanthren-1-yl] ethanoate Openeye Name: [3-benzoyl-4-hydroxy-2-(1-piperidyl)-1-phenanthryl] acetate CAS Name: acetic acid [3-benzoyl-4-hydroxy-2-(1-piperidinyl)-1-phenanthrenyl] ester IUPAC Name: (3-benzoyl-4-hydroxy-2-piperidin-1-ylphenanthren-1-yl) acetate Traditional Name: acetic acid (3-benzoyl-4-hydroxy-2-piperidino-1-phenanthryl) ester Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=C1C=CC3=CC=CC=C32)O)C(=O)C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=C1C=CC3=CC=CC=C32)O)C(=O)C4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C28H25NO4/c1-18(30)33-28-22-15-14-19-10-6-7-13-21(19)23(22)27(32)24(25(28)29-16-8-3-9-17-29)26(31)20-11-4-2-5-12-20/h2,4-7,10-15,32H,3,8-9,16-17H2,1H3