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

Systemtic Name: 2,4-bis[(4-phenoxyphenyl)methyl-propan-2-yl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[isopropyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[oxo-[(4-phenoxyphenyl)methyl-propan-2-ylamino]methyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[(4-phenoxyphenyl)methyl-propan-2-ylcarbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[isopropyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C40H42N2O8 MolecularWeight: 678.77008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H42N2O8/c1-25(2)41(23-27-15-19-31(20-16-27)49-29-11-7-5-8-12-29)37(43)33-35(39(45)46)34(36(33)40(47)48)38(44)42(26(3)4)24-28-17-21-32(22-18-28)50-30-13-9-6-10-14-30/h5-22,25-26,33-36H,23-24H2,1-4H3,(H,45,46)(H,47,48)