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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5CCC5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1CC(C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5CCC5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)O

InChI

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