(phenylmethyl) 2-methanoyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-methanoyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate Openeye Name: benzyl 2-formyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylate CAS Name: 2-formyl-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-formyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylate Traditional Name: 2-formyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid benzyl ester Formula: C47H48N2O7 MolecularWeight: 752.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C=O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C=O

InChI

InChI=1S/C47H48N2O7/c1-3-28-48(30-34-20-24-39(25-21-34)55-37-16-10-6-11-17-37)45(51)42-41(32-50)43(47(53)54-33-36-14-8-5-9-15-36)44(42)46(52)49(29-4-2)31-35-22-26-40(27-23-35)56-38-18-12-7-13-19-38/h5-27,32,41-44H,3-4,28-31,33H2,1-2H3