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

Systemtic Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-phenylmethoxycarbonyl-cyclobutane-1-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-4-phenylmethoxycarbonyl-1-cyclobutanecarboxylic acid IUPAC Name: 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-phenylmethoxycarbonylcyclobutane-1-carboxylic acid Traditional Name: 2-carbobenzoxy-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C47H48N2O8 MolecularWeight: 768.89262

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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)O)C(=O)OCC4=CC=CC=C4)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)OCC4=CC=CC=C4)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C47H48N2O8/c1-3-28-48(30-33-20-24-38(25-21-33)56-36-16-10-6-11-17-36)44(50)40-41(43(42(40)46(52)53)47(54)55-32-35-14-8-5-9-15-35)45(51)49(29-4-2)31-34-22-26-39(27-23-34)57-37-18-12-7-13-19-37/h5-27,40-43H,3-4,28-32H2,1-2H3,(H,52,53)