[4-[[4-oxidanyl-3-phenoxy-5-(propan-2-ylamino)pentanoyl]amino]cyclohexyl] nitrate

Systemtic Name: [4-[[4-oxidanyl-3-phenoxy-5-(propan-2-ylamino)pentanoyl]amino]cyclohexyl] nitrate Openeye Name: [4-[[4-hydroxy-5-(isopropylamino)-3-phenoxy-pentanoyl]amino]cyclohexyl] nitrate CAS Name: nitric acid [4-[[4-hydroxy-1-oxo-3-phenoxy-5-(propan-2-ylamino)pentyl]amino]cyclohexyl] ester IUPAC Name: [4-[[4-hydroxy-3-phenoxy-5-(propan-2-ylamino)pentanoyl]amino]cyclohexyl] nitrate Traditional Name: nitric acid [4-[[4-hydroxy-5-(isopropylamino)-3-phenoxy-pentanoyl]amino]cyclohexyl] ester Formula: C20H31N3O6 MolecularWeight: 409.47664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C(CC(=O)NC1CCC(CC1)O[N+](=O)[O-])OC2=CC=CC=C2)O

Isomeric SMILES

CC(C)NCC(C(CC(=O)NC1CCC(CC1)O[N+](=O)[O-])OC2=CC=CC=C2)O

InChI

InChI=1S/C20H31N3O6/c1-14(2)21-13-18(24)19(28-16-6-4-3-5-7-16)12-20(25)22-15-8-10-17(11-9-15)29-23(26)27/h3-7,14-15,17-19,21,24H,8-13H2,1-2H3,(H,22,25)