[4-[3-[1-azanyl-3,3-dimethyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-1-cyclohexyl-butan-2-yl] benzoate

Systemtic Name: [4-[3-[1-azanyl-3,3-dimethyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-1-cyclohexyl-butan-2-yl] benzoate Openeye Name: [3-[3-[1-carbamoyl-2,2-dimethyl-1-(9H-xanthen-9-yl)propyl]phenyl]-1-(cyclohexylmethyl)propyl] benzoate CAS Name: benzoic acid [4-[3-[1-amino-3,3-dimethyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-1-cyclohexylbutan-2-yl] ester IUPAC Name: [4-[3-[1-amino-3,3-dimethyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-1-cyclohexylbutan-2-yl] benzoate Traditional Name: benzoic acid [3-[3-[1-carbamoyl-2,2-dimethyl-1-(9H-xanthen-9-yl)propyl]phenyl]-1-(cyclohexylmethyl)propyl] ester Formula: C42H47NO4 MolecularWeight: 629.82688

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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(CC5CCCCC5)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(CC5CCCCC5)OC(=O)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C42H47NO4/c1-41(2,3)42(40(43)45,38-34-21-10-12-23-36(34)47-37-24-13-11-22-35(37)38)32-20-14-17-30(27-32)25-26-33(28-29-15-6-4-7-16-29)46-39(44)31-18-8-5-9-19-31/h5,8-14,17-24,27,29,33,38H,4,6-7,15-16,25-26,28H2,1-3H3,(H2,43,45)