sodium 5-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-3-(3-cyclohexylpropoxycarbonyl)pentanoate

Systemtic Name: sodium 5-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]-3-(3-cyclohexylpropoxycarbonyl)pentanoate Openeye Name: sodium 5-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-(3-cyclohexylpropoxycarbonyl)pentanoate CAS Name: sodium 5-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]-3-[3-cyclohexylpropoxy(oxo)methyl]pentanoate IUPAC Name: sodium 5-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-(3-cyclohexylpropoxycarbonyl)pentanoate Traditional Name: sodium 5-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-3-(3-cyclohexylpropoxycarbonyl)valerate Formula: C40H48NNaO6 MolecularWeight: 661.80199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CC(=O)[O-])C(=O)OCCCC2CCCCC2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CC(=O)[O-])C(=O)OCCCC2CCCCC2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.[Na+]

InChI

InChI=1S/C40H49NO6.Na/c1-40(2,3)33-22-20-28(19-21-29(25-38(43)44)39(45)46-23-11-14-27-12-5-4-6-13-27)24-34(33)41-37(42)26-32-30-15-7-9-17-35(30)47-36-18-10-8-16-31(32)36;/h7-10,15-18,20,22,24,27,29,32H,4-6,11-14,19,21,23,25-26H2,1-3H3,(H,41,42)(H,43,44);/q;+1/p-1