[1-[3-[1-azanyl-3,3-dimethyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-5-cyclohexyl-pentan-3-yl] benzoate

Systemtic Name: [1-[3-[1-azanyl-3,3-dimethyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-5-cyclohexyl-pentan-3-yl] benzoate Openeye Name: [1-[2-[3-[1-carbamoyl-2,2-dimethyl-1-(9H-xanthen-9-yl)propyl]phenyl]ethyl]-3-cyclohexyl-propyl] benzoate CAS Name: benzoic acid [1-[3-[1-amino-3,3-dimethyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-5-cyclohexylpentan-3-yl] ester IUPAC Name: [1-[3-[1-amino-3,3-dimethyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-5-cyclohexylpentan-3-yl] benzoate Traditional Name: benzoic acid [1-[2-[3-[1-carbamoyl-2,2-dimethyl-1-(9H-xanthen-9-yl)propyl]phenyl]ethyl]-3-cyclohexyl-propyl] ester Formula: C43H49NO4 MolecularWeight: 643.85346

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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(CCC5CCCCC5)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(CCC5CCCCC5)OC(=O)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C43H49NO4/c1-42(2,3)43(41(44)46,39-35-21-10-12-23-37(35)48-38-24-13-11-22-36(38)39)33-20-14-17-31(29-33)26-28-34(27-25-30-15-6-4-7-16-30)47-40(45)32-18-8-5-9-19-32/h5,8-14,17-24,29-30,34,39H,4,6-7,15-16,25-28H2,1-3H3,(H2,44,46)