4-[2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]carbonyloxybenzoic acid

Systemtic Name: 4-[2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]carbonyloxybenzoic acid Openeye Name: 4-[2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarbonyl]oxybenzoic acid CAS Name: 4-[[2,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutyl]-oxomethoxy]benzoic acid IUPAC Name: 4-[2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutanecarbonyl]oxybenzoic acid Traditional Name: 4-[2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarbonyl]oxybenzoic acid Formula: C46H46N2O8 MolecularWeight: 754.86604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3CC(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)OC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3CC(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)OC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C46H46N2O8/c1-3-27-47(30-32-15-21-37(22-16-32)54-35-11-7-5-8-12-35)43(49)40-29-41(46(53)56-39-25-19-34(20-26-39)45(51)52)42(40)44(50)48(28-4-2)31-33-17-23-38(24-18-33)55-36-13-9-6-10-14-36/h5-26,40-42H,3-4,27-31H2,1-2H3,(H,51,52)