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

Systemtic Name: 2,4-bis[methyl-[(3-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[methyl-[(3-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[methyl-[(3-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[methyl-[(3-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[methyl-(3-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C36H34N2O8 MolecularWeight: 622.66376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H34N2O8/c1-37(21-23-11-9-17-27(19-23)45-25-13-5-3-6-14-25)33(39)29-31(35(41)42)30(32(29)36(43)44)34(40)38(2)22-24-12-10-18-28(20-24)46-26-15-7-4-8-16-26/h3-20,29-32H,21-22H2,1-2H3,(H,41,42)(H,43,44)