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

Systemtic Name: 2,4-bis[cyclopentyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[cyclopentyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[cyclopentyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[cyclopentyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[cyclopentyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C44H46N2O8 MolecularWeight: 730.84464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)C7CCCC7)C(=O)O

Isomeric SMILES

C1CCC(C1)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)C7CCCC7)C(=O)O

InChI

InChI=1S/C44H46N2O8/c47-41(45(31-11-7-8-12-31)27-29-19-23-35(24-20-29)53-33-15-3-1-4-16-33)37-39(43(49)50)38(40(37)44(51)52)42(48)46(32-13-9-10-14-32)28-30-21-25-36(26-22-30)54-34-17-5-2-6-18-34/h1-6,15-26,31-32,37-40H,7-14,27-28H2,(H,49,50)(H,51,52)