2,4-bis[cyclopentylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[cyclopentylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[cyclopentylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[cyclopentylmethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[cyclopentylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[cyclopentylmethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C46H50N2O8 MolecularWeight: 758.8978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5CCCC5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1CCC(C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5CCCC5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C46H50N2O8/c49-43(47(27-31-11-7-8-12-31)29-33-19-23-37(24-20-33)55-35-15-3-1-4-16-35)39-41(45(51)52)40(42(39)46(53)54)44(50)48(28-32-13-9-10-14-32)30-34-21-25-38(26-22-34)56-36-17-5-2-6-18-36/h1-6,15-26,31-32,39-42H,7-14,27-30H2,(H,51,52)(H,53,54)