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

Systemtic Name: methyl 2-aminocarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate Openeye Name: methyl 2-carbamoyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylate CAS Name: 2-carbamoyl-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 2-carbamoyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylate Traditional Name: 2-carbamoyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid methyl ester Formula: C41H45N3O7 MolecularWeight: 691.8119

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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)OC)C(=O)N

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)OC)C(=O)N

InChI

InChI=1S/C41H45N3O7/c1-4-24-43(26-28-16-20-32(21-17-28)50-30-12-8-6-9-13-30)39(46)35-34(38(42)45)37(41(48)49-3)36(35)40(47)44(25-5-2)27-29-18-22-33(23-19-29)51-31-14-10-7-11-15-31/h6-23,34-37H,4-5,24-27H2,1-3H3,(H2,42,45)