[1-[3-[1-azanyl-3,3-dimethyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-6-cyclohexyl-hexan-3-yl] benzoate

Systemtic Name: [1-[3-[1-azanyl-3,3-dimethyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-6-cyclohexyl-hexan-3-yl] benzoate Openeye Name: [1-[2-[3-[1-carbamoyl-2,2-dimethyl-1-(9H-xanthen-9-yl)propyl]phenyl]ethyl]-4-cyclohexyl-butyl] benzoate CAS Name: benzoic acid [1-[3-[1-amino-3,3-dimethyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-6-cyclohexylhexan-3-yl] ester IUPAC Name: [1-[3-[1-amino-3,3-dimethyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-6-cyclohexylhexan-3-yl] benzoate Traditional Name: benzoic acid [1-[2-[3-[1-carbamoyl-2,2-dimethyl-1-(9H-xanthen-9-yl)propyl]phenyl]ethyl]-4-cyclohexyl-butyl] ester Formula: C44H51NO4 MolecularWeight: 657.88004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1C2=CC=CC=C2OC3=CC=CC=C13)(C4=CC=CC(=C4)CCC(CCCC5CCCCC5)OC(=O)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

CC(C)(C)C(C1C2=CC=CC=C2OC3=CC=CC=C13)(C4=CC=CC(=C4)CCC(CCCC5CCCCC5)OC(=O)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C44H51NO4/c1-43(2,3)44(42(45)47,40-36-24-10-12-26-38(36)49-39-27-13-11-25-37(39)40)34-22-14-19-32(30-34)28-29-35(23-15-18-31-16-6-4-7-17-31)48-41(46)33-20-8-5-9-21-33/h5,8-14,19-22,24-27,30-31,35,40H,4,6-7,15-18,23,28-29H2,1-3H3,(H2,45,47)