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

Systemtic Name: 2,4-bis[ethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[ethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[ethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[ethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[ethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C38H38N2O8 MolecularWeight: 650.71692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C38H38N2O8/c1-3-39(23-25-15-19-29(20-16-25)47-27-11-7-5-8-12-27)35(41)31-33(37(43)44)32(34(31)38(45)46)36(42)40(4-2)24-26-17-21-30(22-18-26)48-28-13-9-6-10-14-28/h5-22,31-34H,3-4,23-24H2,1-2H3,(H,43,44)(H,45,46)