methyl 4-[2-[(2-oxidanyl-2-phenanthren-3-yl-ethyl)amino]propyl]benzoate

Systemtic Name: methyl 4-[2-[(2-oxidanyl-2-phenanthren-3-yl-ethyl)amino]propyl]benzoate Openeye Name: methyl 4-[2-[[2-hydroxy-2-(3-phenanthryl)ethyl]amino]propyl]benzoate CAS Name: 4-[2-[[2-hydroxy-2-(3-phenanthrenyl)ethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-hydroxy-2-phenanthren-3-ylethyl)amino]propyl]benzoate Traditional Name: 4-[2-[[2-hydroxy-2-(3-phenanthryl)ethyl]amino]propyl]benzoic acid methyl ester Formula: C27H27NO3 MolecularWeight: 413.50818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC3=C(C=CC4=CC=CC=C43)C=C2)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC3=C(C=CC4=CC=CC=C43)C=C2)O

InChI

InChI=1S/C27H27NO3/c1-18(15-19-7-9-22(10-8-19)27(30)31-2)28-17-26(29)23-14-13-21-12-11-20-5-3-4-6-24(20)25(21)16-23/h3-14,16,18,26,28-29H,15,17H2,1-2H3